One-observation-ahead residuals. Total number of observations: 726 [1] 726 [1] 725 [1] 724 [1] 723 [1] 722 [1] 721 [1] 720 [1] 719 [1] 718 [1] 717 [1] 716 [1] 715 [1] 714 [1] 713 [1] 712 [1] 711 [1] 710 [1] 709 [1] 708 [1] 707 [1] 706 [1] 705 [1] 704 [1] 703 [1] 702 [1] 701 [1] 700 [1] 699 [1] 698 [1] 697 [1] 696 [1] 695 [1] 694 [1] 693 [1] 692 [1] 691 [1] 690 [1] 689 [1] 688 [1] 687 [1] 686 [1] 685 [1] 684 [1] 683 [1] 682 [1] 681 [1] 680 [1] 679 [1] 678 [1] 677 [1] 676 [1] 675 [1] 674 [1] 673 [1] 672 [1] 671 [1] 670 [1] 669 [1] 668 [1] 667 [1] 666 [1] 665 [1] 664 [1] 663 [1] 662 [1] 661 [1] 660 [1] 659 [1] 658 [1] 657 [1] 656 [1] 655 [1] 654 [1] 653 [1] 652 [1] 651 [1] 650 [1] 649 [1] 648 [1] 647 [1] 646 [1] 645 [1] 644 [1] 643 [1] 642 [1] 641 [1] 640 [1] 639 [1] 638 [1] 637 [1] 636 [1] 635 [1] 634 [1] 633 [1] 632 [1] 631 [1] 630 [1] 629 [1] 628 [1] 627 [1] 626 [1] 625 [1] 624 [1] 623 [1] 622 [1] 621 [1] 620 [1] 619 [1] 618 [1] 617 [1] 616 [1] 615 [1] 614 [1] 613 [1] 612 [1] 611 [1] 610 [1] 609 [1] 608 [1] 607 [1] 606 [1] 605 [1] 604 [1] 603 [1] 602 [1] 601 [1] 600 [1] 599 [1] 598 [1] 597 [1] 596 [1] 595 [1] 594 [1] 593 [1] 592 [1] 591 [1] 590 [1] 589 [1] 588 [1] 587 [1] 586 [1] 585 [1] 584 [1] 583 [1] 582 [1] 581 [1] 580 [1] 579 [1] 578 [1] 577 [1] 576 [1] 575 [1] 574 [1] 573 [1] 572 [1] 571 [1] 570 [1] 569 [1] 568 [1] 567 [1] 566 [1] 565 [1] 564 [1] 563 [1] 562 [1] 561 [1] 560 [1] 559 [1] 558 [1] 557 [1] 556 [1] 555 [1] 554 [1] 553 [1] 552 [1] 551 [1] 550 [1] 549 [1] 548 [1] 547 [1] 546 [1] 545 [1] 544 [1] 543 [1] 542 [1] 541 [1] 540 [1] 539 [1] 538 [1] 537 [1] 536 [1] 535 [1] 534 [1] 533 [1] 532 [1] 531 [1] 530 [1] 529 [1] 528 [1] 527 [1] 526 [1] 525 [1] 524 [1] 523 [1] 522 [1] 521 [1] 520 [1] 519 [1] 518 [1] 517 [1] 516 [1] 515 [1] 514 [1] 513 [1] 512 [1] 511 [1] 510 [1] 509 [1] 508 [1] 507 [1] 506 [1] 505 [1] 504 [1] 503 [1] 502 [1] 501 [1] 500 [1] 499 [1] 498 [1] 497 [1] 496 [1] 495 [1] 494 [1] 493 [1] 492 [1] 491 [1] 490 [1] 489 [1] 488 [1] 487 [1] 486 [1] 485 [1] 484 [1] 483 [1] 482 [1] 481 [1] 480 [1] 479 [1] 478 [1] 477 [1] 476 [1] 475 [1] 474 [1] 473 [1] 472 [1] 471 [1] 470 [1] 469 [1] 468 [1] 467 [1] 466 [1] 465 [1] 464 [1] 463 [1] 462 [1] 461 [1] 460 [1] 459 [1] 458 [1] 457 [1] 456 [1] 455 [1] 454 [1] 453 [1] 452 [1] 451 [1] 450 [1] 449 [1] 448 [1] 447 [1] 446 [1] 445 [1] 444 [1] 443 [1] 442 [1] 441 [1] 440 [1] 439 [1] 438 [1] 437 [1] 436 [1] 435 [1] 434 [1] 433 [1] 432 [1] 431 [1] 430 [1] 429 [1] 428 [1] 427 [1] 426 [1] 425 [1] 424 [1] 423 [1] 422 [1] 421 [1] 420 [1] 419 [1] 418 [1] 417 [1] 416 [1] 415 [1] 414 [1] 413 [1] 412 [1] 411 [1] 410 [1] 409 [1] 408 [1] 407 [1] 406 [1] 405 [1] 404 [1] 403 [1] 402 [1] 401 [1] 400 [1] 399 [1] 398 [1] 397 [1] 396 [1] 395 [1] 394 [1] 393 [1] 392 [1] 391 [1] 390 [1] 389 [1] 388 [1] 387 [1] 386 [1] 385 [1] 384 [1] 383 [1] 382 [1] 381 [1] 380 [1] 379 [1] 378 [1] 377 [1] 376 [1] 375 [1] 374 [1] 373 [1] 372 [1] 371 [1] 370 [1] 369 [1] 368 [1] 367 [1] 366 [1] 365 [1] 364 [1] 363 [1] 362 [1] 361 [1] 360 [1] 359 [1] 358 [1] 357 [1] 356 [1] 355 [1] 354 [1] 353 [1] 352 [1] 351 [1] 350 [1] 349 [1] 348 [1] 347 [1] 346 [1] 345 [1] 344 [1] 343 [1] 342 [1] 341 [1] 340 [1] 339 [1] 338 [1] 337 [1] 336 [1] 335 [1] 334 [1] 333 [1] 332 [1] 331 [1] 330 [1] 329 [1] 328 [1] 327 [1] 326 [1] 325 [1] 324 [1] 323 [1] 322 [1] 321 [1] 320 [1] 319 [1] 318 [1] 317 [1] 316 [1] 315 [1] 314 [1] 313 [1] 312 [1] 311 [1] 310 [1] 309 [1] 308 [1] 307 [1] 306 [1] 305 [1] 304 [1] 303 [1] 302 [1] 301 [1] 300 [1] 299 [1] 298 [1] 297 [1] 296 [1] 295 [1] 294 [1] 293 [1] 292 [1] 291 [1] 290 [1] 289 [1] 288 [1] 287 [1] 286 [1] 285 [1] 284 [1] 283 [1] 282 [1] 281 [1] 280 [1] 279 [1] 278 [1] 277 [1] 276 [1] 275 [1] 274 [1] 273 [1] 272 [1] 271 [1] 270 [1] 269 [1] 268 [1] 267 [1] 266 [1] 265 [1] 264 [1] 263 [1] 262 [1] 261 [1] 260 [1] 259 [1] 258 [1] 257 [1] 256 [1] 255 [1] 254 [1] 253 [1] 252 [1] 251 [1] 250 [1] 249 [1] 248 [1] 247 [1] 246 [1] 245 [1] 244 [1] 243 [1] 242 [1] 241 [1] 240 [1] 239 [1] 238 [1] 237 [1] 236 [1] 235 [1] 234 [1] 233 [1] 232 [1] 231 [1] 230 [1] 229 [1] 228 [1] 227 [1] 226 [1] 225 [1] 224 [1] 223 [1] 222 [1] 221 [1] 220 [1] 219 [1] 218 [1] 217 [1] 216 [1] 215 [1] 214 [1] 213 [1] 212 [1] 211 [1] 210 [1] 209 [1] 208 [1] 207 [1] 206 [1] 205 [1] 204 [1] 203 [1] 202 [1] 201 [1] 200 [1] 199 [1] 198 [1] 197 [1] 196 [1] 195 [1] 194 [1] 193 [1] 192 [1] 191 [1] 190 [1] 189 [1] 188 [1] 187 [1] 186 [1] 185 [1] 184 [1] 183 [1] 182 [1] 181 [1] 180 [1] 179 [1] 178 [1] 177 [1] 176 [1] 175 [1] 174 [1] 173 [1] 172 [1] 171 [1] 170 [1] 169 [1] 168 [1] 167 [1] 166 [1] 165 [1] 164 [1] 163 [1] 162 [1] 161 [1] 160 [1] 159 [1] 158 [1] 157 [1] 156 [1] 155 [1] 154 [1] 153 [1] 152 [1] 151 [1] 150 [1] 149 [1] 148 [1] 147 [1] 146 [1] 145 [1] 144 [1] 143 [1] 142 [1] 141 [1] 140 [1] 139 [1] 138 [1] 137 [1] 136 [1] 135 [1] 134 [1] 133 [1] 132 [1] 131 [1] 130 [1] 129 [1] 128 [1] 127 [1] 126 [1] 125 [1] 124 [1] 123 [1] 122 [1] 121 [1] 120 [1] 119 [1] 118 [1] 117 [1] 116 [1] 115 [1] 114 [1] 113 [1] 112 [1] 111 [1] 110 [1] 109 [1] 108 [1] 107 [1] 106 [1] 105 [1] 104 [1] 103 [1] 102 [1] 101 [1] 100 [1] 99 [1] 98 [1] 97 [1] 96 [1] 95 [1] 94 [1] 93 [1] 92 [1] 91 [1] 90 [1] 89 [1] 88 [1] 87 [1] 86 [1] 85 [1] 84 [1] 83 [1] 82 [1] 81 [1] 80 [1] 79 [1] 78 [1] 77 [1] 76 [1] 75 [1] 74 [1] 73 [1] 72 [1] 71 [1] 70 [1] 69 [1] 68 [1] 67 [1] 66 [1] 65 [1] 64 [1] 63 [1] 62 [1] 61 [1] 60 [1] 59 [1] 58 [1] 57 [1] 56 [1] 55 [1] 54 [1] 53 [1] 52 [1] 51 [1] 50 [1] 49 [1] 48 [1] 47 [1] 46 [1] 45 [1] 44 [1] 43 [1] 42 [1] 41 [1] 40 [1] 39 [1] 38 [1] 37 [1] 36 [1] 35 [1] 34 [1] 33 [1] 32 [1] 31 [1] 30 [1] 29 [1] 28 [1] 27 [1] 26 [1] 25 [1] 24 [1] 23 [1] 22 [1] 21 [1] 20 [1] 19 [1] 18 [1] 17 [1] 16 [1] 15 [1] 14 [1] 13 [1] 12 [1] 11 [1] 10 [1] 9 [1] 8 [1] 7 [1] 6 [1] 5 [1] 4 [1] 3 [1] 2 [1] 1 One-observation-ahead residuals. Done iter: 1 value: -87.14571 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0105 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5914 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2664 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6425 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3545 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4792 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3809 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0295 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1802 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.027 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3867 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8033 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3938 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1668 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1126 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.799 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8195 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3806 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0022 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7386 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.241 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3277 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1907 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0702 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5904 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8776 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3867 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8793 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0874 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2265 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4109 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5181 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6389 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7235 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8281 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8969 mgc: 1.647271 ustep: 0.9425988 iter: 38 value: -963.9268 mgc: 34.51473 ustep: 0.9708782 iter: 39 value: -963.9319 mgc: 0.4133142 ustep: 0.985333 iter: 40 value: -963.9319 mgc: 1.102186 ustep: 0.4585435 iter: 41 value: -963.932 mgc: 0.001438938 ustep: 0.4317937 iter: 42 value: -963.932 mgc: 0.001395083 ustep: 0.1251986 iter: 43 value: -963.932 mgc: 0.001386925 ustep: 0.1961762 iter: 44 value: -963.932 mgc: 0.001373149 ustep: 0.2536325 iter: 45 value: -963.932 mgc: 0.001354226 ustep: 0.2954629 iter: 46 value: -963.932 mgc: 0.001331258 ustep: 0.3244016 iter: 47 value: -963.932 mgc: 0.001305457 ustep: 0.5696057 iter: 48 value: -963.932 mgc: 0.00123793 ustep: 0.2962084 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.001216813 Matching hessian patterns... Done outer mgc: 0.0004903565 iter: 1 value: -87.14525 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0092 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5902 mgc: 34.48 ustep: 0.04889356 iter: 4 value: -450.2654 mgc: 817.5945 ustep: 0.03075696 iter: 5 value: -577.6416 mgc: 44.31901 ustep: 0.09194845 iter: 6 value: -626.3537 mgc: 1128.719 ustep: 0.04415613 iter: 7 value: -761.4787 mgc: 20.72688 ustep: 0.2102126 iter: 8 value: -796.3804 mgc: 1908.27 ustep: 0.07379655 iter: 9 value: -863.0292 mgc: 5.323943 ustep: 0.271728 iter: 10 value: -869.1799 mgc: 607.5186 ustep: 0.01143812 iter: 11 value: -884.0267 mgc: 3.40954 ustep: 0.1070385 iter: 12 value: -915.3866 mgc: 49.77534 ustep: 0.3272346 iter: 13 value: -918.8032 mgc: 130.8823 ustep: 0.05164717 iter: 14 value: -929.3938 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1669 mgc: 83.06473 ustep: 0.4768514 iter: 16 value: -945.1126 mgc: 230.58 ustep: 0.03597378 iter: 17 value: -947.7991 mgc: 3.260703 ustep: 0.1897486 iter: 18 value: -952.8196 mgc: 85.34132 ustep: 0.4356578 iter: 19 value: -953.3807 mgc: 155.2305 ustep: 0.06518725 iter: 20 value: -955.0023 mgc: 7.277496 ustep: 0.2553924 iter: 21 value: -957.7387 mgc: 130.6392 ustep: 0.5054131 iter: 22 value: -958.2411 mgc: 85.01633 ustep: 0.1436613 iter: 23 value: -959.3279 mgc: 33.27825 ustep: 0.3790889 iter: 24 value: -960.1908 mgc: 210.8122 ustep: 0.3800752 iter: 25 value: -961.0703 mgc: 28.33776 ustep: 0.6165407 iter: 26 value: -961.5906 mgc: 520.018 ustep: 0.09161564 iter: 27 value: -961.8778 mgc: 3.787535 ustep: 0.3027505 iter: 28 value: -962.3869 mgc: 134.9458 ustep: 0.5502726 iter: 29 value: -962.8795 mgc: 35.06687 ustep: 0.7418295 iter: 30 value: -963.0876 mgc: 280.4093 ustep: 0.3896537 iter: 31 value: -963.2267 mgc: 7.38883 ustep: 0.6242601 iter: 32 value: -963.4111 mgc: 279.7678 ustep: 0.5418217 iter: 33 value: -963.5183 mgc: 2.78036 ustep: 0.7361118 iter: 34 value: -963.639 mgc: 209.3571 ustep: 0.6230873 iter: 35 value: -963.7236 mgc: 0.91449 ustep: 0.7893798 iter: 36 value: -963.7505 mgc: 87.37551 ustep: 0.4220216 iter: 37 value: -963.7811 mgc: 0.4816768 ustep: 0.6496669 iter: 38 value: -963.7828 mgc: 7.461373 ustep: 0.0973815 iter: 39 value: -963.7836 mgc: 0.03376595 ustep: 0.04567824 iter: 40 value: -963.7855 mgc: 0.03364949 ustep: 0.1133113 iter: 41 value: -963.7927 mgc: 0.03334245 ustep: 0.3366838 iter: 42 value: -963.7999 mgc: 0.2808528 ustep: 0.3521119 iter: 43 value: -963.8032 mgc: 0.2294004 ustep: 0.2014412 iter: 44 value: -963.8041 mgc: 0.04473982 ustep: 0.07174634 iter: 45 value: -963.8086 mgc: 0.03029611 ustep: 0.2679283 iter: 46 value: -963.8109 mgc: 0.07411103 ustep: 0.1665968 iter: 47 value: -963.8144 mgc: 0.02914694 ustep: 0.2307058 iter: 48 value: -963.8241 mgc: 0.04029372 ustep: 0.4803704 iter: 49 value: -963.8438 mgc: 0.2603499 ustep: 0.6931183 iter: 50 value: -963.8735 mgc: 0.7270457 ustep: 0.832554 iter: 51 value: -963.8843 mgc: 0.8815291 ustep: 0.7040457 iter: 52 value: -963.8867 mgc: 0.1044076 ustep: 0.3665636 iter: 53 value: -963.8878 mgc: 0.01570845 ustep: 0.2074252 iter: 54 value: -963.8881 mgc: 0.01553817 ustep: 0.07314631 iter: 55 value: -963.8888 mgc: 0.01548702 ustep: 0.1458945 iter: 56 value: -963.8911 mgc: 0.01537722 ustep: 0.3820232 iter: 57 value: -963.8933 mgc: 0.01499136 ustep: 0.3819961 iter: 58 value: -963.8984 mgc: 0.0146165 ustep: 0.6180965 iter: 59 value: -963.9016 mgc: 0.01370241 ustep: 0.5375747 iter: 60 value: -963.9027 mgc: 0.01307818 ustep: 0.2812547 iter: 61 value: -963.9038 mgc: 0.01287163 ustep: 0.3146813 iter: 62 value: -963.9051 mgc: 0.01263404 ustep: 0.337402 iter: 63 value: -963.9054 mgc: 0.01237628 ustep: 0.1029736 iter: 64 value: -963.9065 mgc: 0.01231846 ustep: 0.3209629 iter: 65 value: -963.9092 mgc: 0.01208513 ustep: 0.5665792 iter: 66 value: -963.9101 mgc: 0.01147373 ustep: 0.2947731 iter: 67 value: -963.911 mgc: 0.01128163 ustep: 0.3239319 iter: 68 value: -963.9114 mgc: 0.01106575 ustep: 0.1898001 iter: 69 value: -963.912 mgc: 0.01096123 ustep: 0.2487874 iter: 70 value: -963.9137 mgc: 0.01081549 ustep: 0.4988361 iter: 71 value: -963.915 mgc: 0.01039478 ustep: 0.4580249 iter: 72 value: -963.9155 mgc: 0.01004957 ustep: 0.2459574 iter: 73 value: -963.9169 mgc: 0.00991809 ustep: 0.4959913 iter: 74 value: -963.917 mgc: 0.009536727 ustep: 0.07328969 iter: 75 value: -963.9172 mgc: 0.009506178 ustep: 0.1460496 iter: 76 value: -963.918 mgc: 0.00944057 ustep: 0.3822261 iter: 77 value: -963.9199 mgc: 0.009209043 ustep: 0.6182826 iter: 78 value: -963.9231 mgc: 0.00864013 ustep: 0.7863308 iter: 79 value: -963.9232 mgc: 0.007513827 ustep: 0.06576554 iter: 80 value: -963.9234 mgc: 0.007492343 ustep: 0.2565223 iter: 81 value: -963.9236 mgc: 0.007388481 ustep: 0.1618286 iter: 82 value: -963.9237 mgc: 0.007331215 ustep: 0.1207223 iter: 83 value: -963.9241 mgc: 0.007290806 ustep: 0.3475164 iter: 84 value: -963.9242 mgc: 0.007137214 ustep: 0.1053058 iter: 85 value: -963.9243 mgc: 0.007103425 ustep: 0.1781404 iter: 86 value: -963.9246 mgc: 0.007041719 ustep: 0.2397948 iter: 87 value: -963.9247 mgc: 0.006953003 ustep: 0.15479 iter: 88 value: -963.9251 mgc: 0.006901858 ustep: 0.3934943 iter: 89 value: -963.9253 mgc: 0.00672512 ustep: 0.2186285 iter: 90 value: -963.9253 mgc: 0.006649718 ustep: 0.03861861 iter: 91 value: -963.9255 mgc: 0.006638909 ustep: 0.1965965 iter: 92 value: -963.9255 mgc: 0.006573688 ustep: 0.1362447 iter: 93 value: -963.9259 mgc: 0.006531903 ustep: 0.3691765 iter: 94 value: -963.926 mgc: 0.006380324 ustep: 0.2085088 iter: 95 value: -963.9265 mgc: 0.006312785 ustep: 0.456682 iter: 96 value: -963.9269 mgc: 0.006104135 ustep: 0.4305844 iter: 97 value: -963.9269 mgc: 0.005921817 ustep: 0.06452864 iter: 98 value: -963.927 mgc: 0.005905231 ustep: 0.2540995 iter: 99 value: -963.9272 mgc: 0.005824396 ustep: 0.2957918 iter: 100 value: -963.9273 mgc: 0.00572634 ustep: 0.1781704 iter: 101 value: -963.9275 mgc: 0.005676156 ustep: 0.2398182 iter: 102 value: -963.9276 mgc: 0.005604024 ustep: 0.285663 iter: 103 value: -963.9277 mgc: 0.005514002 ustep: 0.09113058 iter: 104 value: -963.9279 mgc: 0.005491519 ustep: 0.3019482 iter: 105 value: -963.9283 mgc: 0.005396149 ustep: 0.5495432 iter: 106 value: -963.9284 mgc: 0.005139524 ustep: 0.2867829 iter: 107 value: -963.9285 mgc: 0.005056263 ustep: 0.09138617 iter: 108 value: -963.9286 mgc: 0.005035519 ustep: 0.3023712 iter: 109 value: -963.9287 mgc: 0.004947632 ustep: 0.1808928 iter: 110 value: -963.9289 mgc: 0.004903239 ustep: 0.4253724 iter: 111 value: -963.929 mgc: 0.004758675 ustep: 0.1236449 iter: 112 value: -963.9291 mgc: 0.004731275 ustep: 0.3516966 iter: 113 value: -963.9295 mgc: 0.004628143 ustep: 0.5930809 iter: 114 value: -963.9296 mgc: 0.004366256 ustep: 0.307518 iter: 115 value: -963.9297 mgc: 0.004287849 ustep: 0.3325745 iter: 116 value: -963.9299 mgc: 0.004201586 ustep: 0.3493769 iter: 117 value: -963.93 mgc: 0.004110575 ustep: 0.3605283 iter: 118 value: -963.9301 mgc: 0.004017129 ustep: 0.3678873 iter: 119 value: -963.9302 mgc: 0.003922862 ustep: 0.3727279 iter: 120 value: -963.9303 mgc: 0.003828857 ustep: 0.3759058 iter: 121 value: -963.9304 mgc: 0.003735817 ustep: 0.3779898 iter: 122 value: -963.9307 mgc: 0.003644184 ustep: 0.6148472 iter: 123 value: -963.9307 mgc: 0.003418021 ustep: 0.1743377 iter: 124 value: -963.9308 mgc: 0.003388359 ustep: 0.4175959 iter: 125 value: -963.9309 mgc: 0.003290468 ustep: 0.4051923 iter: 126 value: -963.9311 mgc: 0.003199957 ustep: 0.6365835 iter: 127 value: -963.9315 mgc: 0.002982649 ustep: 0.797882 iter: 128 value: -963.9315 mgc: 0.002560803 ustep: 0.243869 iter: 129 value: -963.9316 mgc: 0.002526785 ustep: 0.4938815 iter: 130 value: -963.9316 mgc: 0.002427806 ustep: 0.454791 iter: 131 value: -963.9316 mgc: 0.002345987 ustep: 0.1308297 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.002331314 outer mgc: 0.02853697 iter: 1 value: -87.14614 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0118 mgc: 3386.081 ustep: 0.002381288 iter: 3 value: -389.5925 mgc: 34.48013 ustep: 0.04889356 iter: 4 value: -450.2675 mgc: 817.5942 ustep: 0.03075696 iter: 5 value: -577.6433 mgc: 44.31872 ustep: 0.09194845 iter: 6 value: -626.3553 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4797 mgc: 20.7266 ustep: 0.2102126 iter: 8 value: -796.3813 mgc: 1908.267 ustep: 0.07379655 iter: 9 value: -863.0297 mgc: 5.323937 ustep: 0.271728 iter: 10 value: -869.1805 mgc: 607.5201 ustep: 0.01143812 iter: 11 value: -884.0272 mgc: 3.409535 ustep: 0.1070385 iter: 12 value: -915.3868 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8033 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3938 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1668 mgc: 83.0646 ustep: 0.4768514 iter: 16 value: -945.1125 mgc: 230.5804 ustep: 0.03597378 iter: 17 value: -947.7989 mgc: 3.260617 ustep: 0.1897486 iter: 18 value: -952.8193 mgc: 85.34033 ustep: 0.4356578 iter: 19 value: -953.3805 mgc: 155.2308 ustep: 0.06518725 iter: 20 value: -955.0021 mgc: 7.277354 ustep: 0.2553924 iter: 21 value: -957.7384 mgc: 130.6372 ustep: 0.5054131 iter: 22 value: -958.2408 mgc: 85.01685 ustep: 0.1436613 iter: 23 value: -959.3275 mgc: 33.27759 ustep: 0.3790889 iter: 24 value: -960.1905 mgc: 210.8116 ustep: 0.3800752 iter: 25 value: -961.07 mgc: 28.33744 ustep: 0.6165407 iter: 26 value: -961.5902 mgc: 520.0153 ustep: 0.09161564 iter: 27 value: -961.8775 mgc: 3.787501 ustep: 0.3027505 iter: 28 value: -962.3866 mgc: 134.9435 ustep: 0.5502726 iter: 29 value: -962.8791 mgc: 35.06728 ustep: 0.7418295 iter: 30 value: -963.0872 mgc: 280.4023 ustep: 0.3896537 iter: 31 value: -963.2263 mgc: 7.389025 ustep: 0.6242601 iter: 32 value: -963.4107 mgc: 279.7616 ustep: 0.5418217 iter: 33 value: -963.518 mgc: 2.780513 ustep: 0.7361118 iter: 34 value: -963.6387 mgc: 209.3529 ustep: 0.6230873 iter: 35 value: -963.7233 mgc: 0.9146124 ustep: 0.7893798 iter: 36 value: -963.828 mgc: 87.37436 ustep: 0.8884817 iter: 37 value: -963.8306 mgc: 1.64731 ustep: 0.163475 iter: 38 value: -963.8322 mgc: 1.050371 ustep: 0.1214737 iter: 39 value: -963.8335 mgc: 0.3330774 ustep: 0.1015939 iter: 40 value: -963.8357 mgc: 0.1572539 ustep: 0.1746378 iter: 41 value: -963.8371 mgc: 0.3003077 ustep: 0.1265216 iter: 42 value: -963.8394 mgc: 0.09952889 ustep: 0.1973366 iter: 43 value: -963.8463 mgc: 0.1660083 ustep: 0.4442814 iter: 44 value: -963.8489 mgc: 0.6311912 ustep: 0.2400618 iter: 45 value: -963.8561 mgc: 0.0700048 ustep: 0.4900121 iter: 46 value: -963.8703 mgc: 0.3269576 ustep: 0.7000386 iter: 47 value: -963.8779 mgc: 0.736472 ustep: 0.5958358 iter: 48 value: -963.8829 mgc: 0.1707262 ustep: 0.5223777 iter: 49 value: -963.8927 mgc: 0.06591912 ustep: 0.7227847 iter: 50 value: -963.8936 mgc: 0.1582964 ustep: 0.2111629 iter: 51 value: -963.8942 mgc: 0.014472 ustep: 0.142571 iter: 52 value: -963.8951 mgc: 0.0143722 ustep: 0.211086 iter: 53 value: -963.8978 mgc: 0.01421365 ustep: 0.459495 iter: 54 value: -963.9 mgc: 0.01372928 ustep: 0.4324119 iter: 55 value: -963.9019 mgc: 0.01330998 ustep: 0.4148214 iter: 56 value: -963.9027 mgc: 0.012932 ustep: 0.2275704 iter: 57 value: -963.9037 mgc: 0.01277697 ustep: 0.2768511 iter: 58 value: -963.9063 mgc: 0.01257892 ustep: 0.5262138 iter: 59 value: -963.9114 mgc: 0.01203108 ustep: 0.7254334 iter: 60 value: -963.9189 mgc: 0.01230648 ustep: 0.8517386 iter: 61 value: -963.9264 mgc: 0.01306811 ustep: 0.9229046 iter: 62 value: -963.9265 mgc: 0.005907245 ustep: 0.04926637 iter: 63 value: -963.9265 mgc: 0.005894749 ustep: 0.1179667 iter: 64 value: -963.9266 mgc: 0.005862674 ustep: 0.1897517 iter: 65 value: -963.9268 mgc: 0.005807153 ustep: 0.2487504 iter: 66 value: -963.9272 mgc: 0.005730206 ustep: 0.498799 iter: 67 value: -963.9281 mgc: 0.005507583 ustep: 0.7062864 iter: 68 value: -963.9283 mgc: 0.005016041 ustep: 0.36788 iter: 69 value: -963.9284 mgc: 0.004899737 ustep: 0.2079711 iter: 70 value: -963.9286 mgc: 0.004847798 ustep: 0.4560928 iter: 71 value: -963.9289 mgc: 0.004687233 ustep: 0.4302017 iter: 72 value: -963.9289 mgc: 0.004546844 ustep: 0.03277342 iter: 73 value: -963.9289 mgc: 0.004540552 ustep: 0.1811162 iter: 74 value: -963.929 mgc: 0.004499836 ustep: 0.242107 iter: 75 value: -963.9291 mgc: 0.004441762 ustep: 0.2872964 iter: 76 value: -963.9292 mgc: 0.004369627 ustep: 0.318827 iter: 77 value: -963.9293 mgc: 0.004287393 ustep: 0.05063144 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.004278043 outer mgc: 0.02850461 iter: 1 value: -87.15132 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0118 mgc: 3386.081 ustep: 0.002381288 iter: 3 value: -389.5927 mgc: 34.47849 ustep: 0.04889356 iter: 4 value: -450.2679 mgc: 817.5952 ustep: 0.03075696 iter: 5 value: -577.6438 mgc: 44.31922 ustep: 0.09194845 iter: 6 value: -626.3558 mgc: 1128.719 ustep: 0.04415613 iter: 7 value: -761.4802 mgc: 20.72699 ustep: 0.2102126 iter: 8 value: -796.3817 mgc: 1908.265 ustep: 0.07379655 iter: 9 value: -863.0301 mgc: 5.323913 ustep: 0.271728 iter: 10 value: -869.1807 mgc: 607.5135 ustep: 0.01143812 iter: 11 value: -884.0273 mgc: 3.409517 ustep: 0.1070385 iter: 12 value: -915.387 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8034 mgc: 130.8826 ustep: 0.05164717 iter: 14 value: -929.3939 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1669 mgc: 83.06514 ustep: 0.4768514 iter: 16 value: -945.1127 mgc: 230.5794 ustep: 0.03597378 iter: 17 value: -947.7991 mgc: 3.260743 ustep: 0.1897486 iter: 18 value: -952.8196 mgc: 85.34098 ustep: 0.4356578 iter: 19 value: -953.3807 mgc: 155.2291 ustep: 0.06518725 iter: 20 value: -955.0023 mgc: 7.277633 ustep: 0.2553924 iter: 21 value: -957.7387 mgc: 130.6414 ustep: 0.5054131 iter: 22 value: -958.2411 mgc: 85.01483 ustep: 0.1436613 iter: 23 value: -959.3279 mgc: 33.27934 ustep: 0.3790889 iter: 24 value: -960.1909 mgc: 210.8115 ustep: 0.3800752 iter: 25 value: -961.0704 mgc: 28.3384 ustep: 0.6165407 iter: 26 value: -961.5907 mgc: 520.0221 ustep: 0.09161564 iter: 27 value: -961.8779 mgc: 3.787622 ustep: 0.3027505 iter: 28 value: -962.387 mgc: 134.9518 ustep: 0.5502726 iter: 29 value: -962.8796 mgc: 35.06561 ustep: 0.7418295 iter: 30 value: -963.0877 mgc: 280.4309 ustep: 0.3896537 iter: 31 value: -963.2268 mgc: 7.388206 ustep: 0.6242601 iter: 32 value: -963.4112 mgc: 279.7887 ustep: 0.5418217 iter: 33 value: -963.5184 mgc: 2.779869 ustep: 0.7361118 iter: 34 value: -963.6068 mgc: 209.3735 ustep: 0.3860292 iter: 35 value: -963.6647 mgc: 0.8513116 ustep: 0.6213504 iter: 36 value: -963.7469 mgc: 35.13247 ustep: 0.788279 iter: 37 value: -963.8348 mgc: 7.931983 ustep: 0.887862 iter: 38 value: -963.9005 mgc: 26.27029 ustep: 0.9422701 iter: 39 value: -963.9273 mgc: 3.447049 ustep: 0.9707089 iter: 40 value: -963.9296 mgc: 5.095221 ustep: 0.8784505 iter: 41 value: -963.9315 mgc: 0.1227662 ustep: 0.9372632 iter: 42 value: -963.9318 mgc: 0.03357841 ustep: 0.821387 iter: 43 value: -963.9319 mgc: 0.002219893 ustep: 0.4466452 iter: 44 value: -963.9319 mgc: 0.002148483 ustep: 0.4240656 iter: 45 value: -963.932 mgc: 0.002085207 ustep: 0.651238 iter: 46 value: -963.9321 mgc: 0.001935928 ustep: 0.5606405 iter: 47 value: -963.9321 mgc: 0.001838896 ustep: 0.2919708 iter: 48 value: -963.9321 mgc: 0.001808051 ustep: 0.3220218 iter: 49 value: -963.9321 mgc: 0.00177319 ustep: 0.3423282 iter: 50 value: -963.9321 mgc: 0.001735771 ustep: 0.3558602 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.001696922 outer mgc: 0.05839511 iter: 1 value: -87.14004 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0092 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5899 mgc: 34.48164 ustep: 0.04889356 iter: 4 value: -450.265 mgc: 817.5935 ustep: 0.03075696 iter: 5 value: -577.6411 mgc: 44.31851 ustep: 0.09194845 iter: 6 value: -626.3531 mgc: 1128.717 ustep: 0.04415613 iter: 7 value: -761.4781 mgc: 20.72649 ustep: 0.2102126 iter: 8 value: -796.38 mgc: 1908.272 ustep: 0.07379655 iter: 9 value: -863.0288 mgc: 5.323967 ustep: 0.271728 iter: 10 value: -869.1797 mgc: 607.5251 ustep: 0.01143812 iter: 11 value: -884.0266 mgc: 3.409557 ustep: 0.1070385 iter: 12 value: -915.3865 mgc: 49.77534 ustep: 0.3272346 iter: 13 value: -918.803 mgc: 130.8818 ustep: 0.05164717 iter: 14 value: -929.3937 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1667 mgc: 83.06419 ustep: 0.4768514 iter: 16 value: -945.1125 mgc: 230.5809 ustep: 0.03597378 iter: 17 value: -947.7989 mgc: 3.260577 ustep: 0.1897486 iter: 18 value: -952.8193 mgc: 85.34067 ustep: 0.4356578 iter: 19 value: -953.3804 mgc: 155.2323 ustep: 0.06518725 iter: 20 value: -955.0021 mgc: 7.277217 ustep: 0.2553924 iter: 21 value: -957.7384 mgc: 130.635 ustep: 0.5054131 iter: 22 value: -958.2408 mgc: 85.01835 ustep: 0.1436613 iter: 23 value: -959.3275 mgc: 33.2765 ustep: 0.3790889 iter: 24 value: -960.1904 mgc: 210.8122 ustep: 0.3800752 iter: 25 value: -961.0699 mgc: 28.33681 ustep: 0.6165407 iter: 26 value: -961.5901 mgc: 520.0111 ustep: 0.09161564 iter: 27 value: -961.8773 mgc: 3.787413 ustep: 0.3027505 iter: 28 value: -962.3864 mgc: 134.9375 ustep: 0.5502726 iter: 29 value: -962.879 mgc: 35.06854 ustep: 0.7418295 iter: 30 value: -963.0871 mgc: 280.3806 ustep: 0.3896537 iter: 31 value: -963.2262 mgc: 7.38965 ustep: 0.6242601 iter: 32 value: -963.4106 mgc: 279.7407 ustep: 0.5418217 iter: 33 value: -963.5178 mgc: 2.781004 ustep: 0.7361118 iter: 34 value: -963.6385 mgc: 209.3366 ustep: 0.6230873 iter: 35 value: -963.7231 mgc: 0.9150377 ustep: 0.7893798 iter: 36 value: -963.8278 mgc: 87.36812 ustep: 0.8884817 iter: 37 value: -963.8387 mgc: 1.647639 ustep: 0.5103966 iter: 38 value: -963.8578 mgc: 7.036817 ustep: 0.714449 iter: 39 value: -963.8618 mgc: 3.19314 ustep: 0.3727286 iter: 40 value: -963.8711 mgc: 0.2401613 ustep: 0.610554 iter: 41 value: -963.887 mgc: 0.5211947 ustep: 0.7814014 iter: 42 value: -963.9069 mgc: 0.6474456 ustep: 0.8839807 iter: 43 value: -963.9078 mgc: 0.4421705 ustep: 0.2966783 iter: 44 value: -963.9088 mgc: 0.01162879 ustep: 0.3252285 iter: 45 value: -963.9093 mgc: 0.01140206 ustep: 0.1903355 iter: 46 value: -963.9096 mgc: 0.01129262 ustep: 0.1334972 iter: 47 value: -963.9107 mgc: 0.0112214 ustep: 0.3654362 iter: 48 value: -963.9133 mgc: 0.01096178 ustep: 0.6045527 iter: 49 value: -963.915 mgc: 0.01031537 ustep: 0.5283034 iter: 50 value: -963.9153 mgc: 0.009863409 ustep: 0.1497011 iter: 51 value: -963.9162 mgc: 0.009792893 ustep: 0.3869735 iter: 52 value: -963.917 mgc: 0.009546629 ustep: 0.3852337 iter: 53 value: -963.919 mgc: 0.009308436 ustep: 0.6207099 iter: 54 value: -963.9195 mgc: 0.008725905 ustep: 0.321273 iter: 55 value: -963.92 mgc: 0.008560645 ustep: 0.3418266 iter: 56 value: -963.9201 mgc: 0.008383117 ustep: 0.0534181 iter: 57 value: -963.9204 mgc: 0.008363872 ustep: 0.2312005 iter: 58 value: -963.9213 mgc: 0.008262565 ustep: 0.480885 iter: 59 value: -963.9216 mgc: 0.007961888 ustep: 0.2558785 iter: 60 value: -963.9225 mgc: 0.007851819 ustep: 0.5058938 iter: 61 value: -963.9226 mgc: 0.00753718 ustep: 0.1437865 iter: 62 value: -963.9228 mgc: 0.007485923 ustep: 0.2121044 iter: 63 value: -963.9231 mgc: 0.007404642 ustep: 0.2655362 iter: 64 value: -963.9234 mgc: 0.007297058 ustep: 0.3038019 iter: 65 value: -963.9235 mgc: 0.007169458 ustep: 0.09527193 iter: 66 value: -963.9238 mgc: 0.007138796 ustep: 0.3087307 iter: 67 value: -963.9247 mgc: 0.007011058 ustep: 0.5556798 iter: 68 value: -963.9262 mgc: 0.006670516 ustep: 0.7454648 iter: 69 value: -963.927 mgc: 0.005960851 ustep: 0.6303652 iter: 70 value: -963.9271 mgc: 0.005574068 ustep: 0.179133 iter: 71 value: -963.9274 mgc: 0.005524993 ustep: 0.4232988 iter: 72 value: -963.9274 mgc: 0.005364545 ustep: 0.06358818 iter: 73 value: -963.9275 mgc: 0.00534974 ustep: 0.2522418 iter: 74 value: -963.9275 mgc: 0.005277158 ustep: 0.04265282 iter: 75 value: -963.9276 mgc: 0.005267588 ustep: 0.1092618 iter: 76 value: -963.9278 mgc: 0.005241367 ustep: 0.3306147 iter: 77 value: -963.9279 mgc: 0.005137798 ustep: 0.1925593 iter: 78 value: -963.928 mgc: 0.005088255 ustep: 0.2508901 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.005019582 outer mgc: 0.05838813 iter: 1 value: -87.13738 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0087 mgc: 3386.112 ustep: 0.002381288 iter: 3 value: -389.5897 mgc: 34.48257 ustep: 0.04889356 iter: 4 value: -450.265 mgc: 817.6076 ustep: 0.03075696 iter: 5 value: -577.6412 mgc: 44.31856 ustep: 0.09194845 iter: 6 value: -626.3534 mgc: 1128.739 ustep: 0.04415613 iter: 7 value: -761.4781 mgc: 20.72625 ustep: 0.2102126 iter: 8 value: -796.3801 mgc: 1908.317 ustep: 0.07379655 iter: 9 value: -863.0288 mgc: 5.323952 ustep: 0.271728 iter: 10 value: -869.1797 mgc: 607.5457 ustep: 0.01143812 iter: 11 value: -884.0265 mgc: 3.409542 ustep: 0.1070385 iter: 12 value: -915.3865 mgc: 49.77524 ustep: 0.3272346 iter: 13 value: -918.803 mgc: 130.8826 ustep: 0.05164717 iter: 14 value: -929.3936 mgc: 12.0384 ustep: 0.2273374 iter: 15 value: -944.1666 mgc: 83.06419 ustep: 0.4768514 iter: 16 value: -945.1124 mgc: 230.5859 ustep: 0.03597378 iter: 17 value: -947.7988 mgc: 3.260407 ustep: 0.1897486 iter: 18 value: -952.8193 mgc: 85.33804 ustep: 0.4356578 iter: 19 value: -953.3804 mgc: 155.2353 ustep: 0.06518725 iter: 20 value: -955.002 mgc: 7.276916 ustep: 0.2553924 iter: 21 value: -957.7384 mgc: 130.633 ustep: 0.5054131 iter: 22 value: -958.2408 mgc: 85.02045 ustep: 0.1436613 iter: 23 value: -959.3275 mgc: 33.27574 ustep: 0.3790889 iter: 24 value: -960.1904 mgc: 210.8141 ustep: 0.3800752 iter: 25 value: -961.0699 mgc: 28.33651 ustep: 0.6165407 iter: 26 value: -961.5902 mgc: 520.0151 ustep: 0.09161564 iter: 27 value: -961.8774 mgc: 3.787411 ustep: 0.3027505 iter: 28 value: -962.3865 mgc: 134.9363 ustep: 0.5502726 iter: 29 value: -962.879 mgc: 35.06928 ustep: 0.7418295 iter: 30 value: -963.0871 mgc: 280.3736 ustep: 0.3896537 iter: 31 value: -963.2263 mgc: 7.389977 ustep: 0.6242601 iter: 32 value: -963.4106 mgc: 279.7329 ustep: 0.5418217 iter: 33 value: -963.5179 mgc: 2.781317 ustep: 0.7361118 iter: 34 value: -963.6386 mgc: 209.3305 ustep: 0.6230873 iter: 35 value: -963.7231 mgc: 0.9153146 ustep: 0.7893798 iter: 36 value: -963.8278 mgc: 87.3671 ustep: 0.8884817 iter: 37 value: -963.8542 mgc: 1.647802 ustep: 0.7603385 iter: 38 value: -963.8663 mgc: 16.35549 ustep: 0.6421463 iter: 39 value: -963.8733 mgc: 0.7759322 ustep: 0.5542543 iter: 40 value: -963.8863 mgc: 0.5017024 ustep: 0.7445081 iter: 41 value: -963.8888 mgc: 0.5732385 ustep: 0.3913693 iter: 42 value: -963.8912 mgc: 0.02165959 ustep: 0.3881055 iter: 43 value: -963.8913 mgc: 0.01537002 ustep: 0.03000988 iter: 44 value: -963.8921 mgc: 0.01484331 ustep: 0.1733163 iter: 45 value: -963.8945 mgc: 0.01471354 ustep: 0.4163711 iter: 46 value: -963.9 mgc: 0.01428689 ustep: 0.6453037 iter: 47 value: -963.9033 mgc: 0.04293938 ustep: 0.5564668 iter: 48 value: -963.9056 mgc: 0.01324453 ustep: 0.4959587 iter: 49 value: -963.9075 mgc: 0.01213913 ustep: 0.4561465 iter: 50 value: -963.9114 mgc: 0.01173527 ustep: 0.6754186 iter: 51 value: -963.9178 mgc: 0.0108153 ustep: 0.8218564 iter: 52 value: -963.9187 mgc: 0.01311936 ustep: 0.4470277 iter: 53 value: -963.9196 mgc: 0.008812814 ustep: 0.424314 iter: 54 value: -963.9203 mgc: 0.008555869 ustep: 0.4095598 iter: 55 value: -963.9209 mgc: 0.008320722 ustep: 0.3999638 iter: 56 value: -963.9212 mgc: 0.00810073 ustep: 0.2213335 iter: 57 value: -963.9215 mgc: 0.008007991 ustep: 0.2723148 iter: 58 value: -963.9225 mgc: 0.007887724 ustep: 0.5218857 iter: 59 value: -963.9228 mgc: 0.007551761 ustep: 0.2741056 iter: 60 value: -963.9231 mgc: 0.007437285 ustep: 0.3097507 iter: 61 value: -963.9233 mgc: 0.007303662 ustep: 0.1839432 iter: 62 value: -963.9238 mgc: 0.007237149 ustep: 0.4289431 iter: 63 value: -963.925 mgc: 0.007022008 ustep: 0.654972 iter: 64 value: -963.9251 mgc: 0.006518824 ustep: 0.02554329 iter: 65 value: -963.9251 mgc: 0.006511914 ustep: 0.08342563 iter: 66 value: -963.9254 mgc: 0.006488003 ustep: 0.2889061 iter: 67 value: -963.9254 mgc: 0.006382929 ustep: 0.09187072 iter: 68 value: -963.9255 mgc: 0.006356869 ustep: 0.08632893 iter: 69 value: -963.9256 mgc: 0.006332617 ustep: 0.1596796 iter: 70 value: -963.9256 mgc: 0.006284203 ustep: 0.1197386 iter: 71 value: -963.9259 mgc: 0.006249728 ustep: 0.3460981 iter: 72 value: -963.9261 mgc: 0.006118296 ustep: 0.1989548 iter: 73 value: -963.9262 mgc: 0.006057212 ustep: 0.2557291 iter: 74 value: -963.9263 mgc: 0.005973825 ustep: 0.084293 iter: 75 value: -963.9265 mgc: 0.005951564 ustep: 0.2904035 iter: 76 value: -963.927 mgc: 0.005854155 ustep: 0.5389371 iter: 77 value: -963.9272 mgc: 0.005588112 ustep: 0.2818807 iter: 78 value: -963.9272 mgc: 0.005500126 ustep: 0.09026739 iter: 79 value: -963.9274 mgc: 0.005477971 ustep: 0.3005153 iter: 80 value: -963.9278 mgc: 0.005383633 ustep: 0.5482379 iter: 81 value: -963.9281 mgc: 0.005129303 ustep: 0.4904972 iter: 82 value: -963.9283 mgc: 0.004934925 ustep: 0.2600982 iter: 83 value: -963.9284 mgc: 0.004864918 ustep: 0.3000037 iter: 84 value: -963.9287 mgc: 0.00478099 ustep: 0.5477712 iter: 85 value: -963.9289 mgc: 0.004554647 ustep: 0.2859601 iter: 86 value: -963.9291 mgc: 0.004480981 ustep: 0.5347989 iter: 87 value: -963.9292 mgc: 0.004278759 ustep: 0.279982 iter: 88 value: -963.9295 mgc: 0.004211399 ustep: 0.5291804 iter: 89 value: -963.9296 mgc: 0.004025054 ustep: 0.2774164 iter: 90 value: -963.9298 mgc: 0.003962363 ustep: 0.5267507 iter: 91 value: -963.9298 mgc: 0.003788358 ustep: 0.07765067 iter: 92 value: -963.9298 mgc: 0.003775241 ustep: 0.04000768 iter: 93 value: -963.9298 mgc: 0.003768759 ustep: 0.1056177 iter: 94 value: -963.9299 mgc: 0.003750477 ustep: 0.1784326 iter: 95 value: -963.9299 mgc: 0.003717143 ustep: 0.2400224 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.003669275 outer mgc: 0.02729583 iter: 1 value: -87.154 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0123 mgc: 3386.051 ustep: 0.002381288 iter: 3 value: -389.5929 mgc: 34.47757 ustep: 0.04889356 iter: 4 value: -450.2679 mgc: 817.5811 ustep: 0.03075696 iter: 5 value: -577.6437 mgc: 44.31917 ustep: 0.09194845 iter: 6 value: -626.3556 mgc: 1128.698 ustep: 0.04415613 iter: 7 value: -761.4803 mgc: 20.72723 ustep: 0.2102126 iter: 8 value: -796.3816 mgc: 1908.22 ustep: 0.07379655 iter: 9 value: -863.0301 mgc: 5.323927 ustep: 0.271728 iter: 10 value: -869.1807 mgc: 607.493 ustep: 0.01143812 iter: 11 value: -884.0274 mgc: 3.409532 ustep: 0.1070385 iter: 12 value: -915.387 mgc: 49.77546 ustep: 0.3272346 iter: 13 value: -918.8035 mgc: 130.8818 ustep: 0.05164717 iter: 14 value: -929.3941 mgc: 12.03848 ustep: 0.2273374 iter: 15 value: -944.167 mgc: 83.06514 ustep: 0.4768514 iter: 16 value: -945.1127 mgc: 230.5745 ustep: 0.03597378 iter: 17 value: -947.7991 mgc: 3.260913 ustep: 0.1897486 iter: 18 value: -952.8196 mgc: 85.3436 ustep: 0.4356578 iter: 19 value: -953.3807 mgc: 155.2261 ustep: 0.06518725 iter: 20 value: -955.0024 mgc: 7.277934 ustep: 0.2553924 iter: 21 value: -957.7388 mgc: 130.6434 ustep: 0.5054131 iter: 22 value: -958.2411 mgc: 85.01273 ustep: 0.1436613 iter: 23 value: -959.3279 mgc: 33.28009 ustep: 0.3790889 iter: 24 value: -960.1909 mgc: 210.8096 ustep: 0.3800752 iter: 25 value: -961.0703 mgc: 28.33869 ustep: 0.6165407 iter: 26 value: -961.5907 mgc: 520.0181 ustep: 0.09161564 iter: 27 value: -961.8779 mgc: 3.787624 ustep: 0.3027505 iter: 28 value: -962.387 mgc: 134.953 ustep: 0.5502726 iter: 29 value: -962.8796 mgc: 35.06487 ustep: 0.7418295 iter: 30 value: -963.0877 mgc: 280.438 ustep: 0.3896537 iter: 31 value: -963.2268 mgc: 7.387878 ustep: 0.6242601 iter: 32 value: -963.4112 mgc: 279.7965 ustep: 0.5418217 iter: 33 value: -963.5184 mgc: 2.779555 ustep: 0.7361118 iter: 34 value: -963.6392 mgc: 209.3795 ustep: 0.6230873 iter: 35 value: -963.7238 mgc: 0.9137873 ustep: 0.7893798 iter: 36 value: -963.8284 mgc: 87.38277 ustep: 0.8884817 iter: 37 value: -963.8972 mgc: 1.64674 ustep: 0.9425988 iter: 38 value: -963.9271 mgc: 34.51664 ustep: 0.9708782 iter: 39 value: -963.9322 mgc: 0.4132326 ustep: 0.985333 iter: 40 value: -963.9323 mgc: 1.102157 ustep: 0.7068746 iter: 41 value: -963.9323 mgc: 0.001354374 ustep: 0.6009089 iter: 42 value: -963.9323 mgc: 0.001275298 ustep: 0.0890255 iter: 43 value: -963.9323 mgc: 0.001270185 ustep: 0.1623929 iter: 44 value: -963.9323 mgc: 0.001260121 ustep: 0.4030397 iter: 45 value: -963.9323 mgc: 0.001225999 ustep: 0.2226217 iter: 46 value: -963.9324 mgc: 0.001211691 ustep: 0.4718809 iter: 47 value: -963.9324 mgc: 0.001168594 ustep: 0.6869672 iter: 48 value: -963.9324 mgc: 0.001071341 ustep: 0.3567233 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.001047304 outer mgc: 0.02722768 iter: 1 value: -87.12873 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0034 mgc: 3386.092 ustep: 0.002381288 iter: 3 value: -389.5858 mgc: 34.48075 ustep: 0.04889356 iter: 4 value: -450.2618 mgc: 817.5841 ustep: 0.03075696 iter: 5 value: -577.6396 mgc: 44.31851 ustep: 0.09194845 iter: 6 value: -626.3523 mgc: 1128.706 ustep: 0.04415613 iter: 7 value: -761.4788 mgc: 20.72617 ustep: 0.2102126 iter: 8 value: -796.3809 mgc: 1908.242 ustep: 0.07379655 iter: 9 value: -863.0301 mgc: 5.324157 ustep: 0.271728 iter: 10 value: -869.1808 mgc: 607.5104 ustep: 0.01143812 iter: 11 value: -884.0276 mgc: 3.409675 ustep: 0.1070385 iter: 12 value: -915.3873 mgc: 49.77541 ustep: 0.3272346 iter: 13 value: -918.8038 mgc: 130.8857 ustep: 0.05164717 iter: 14 value: -929.3943 mgc: 12.03846 ustep: 0.2273374 iter: 15 value: -944.1671 mgc: 83.0688 ustep: 0.4768514 iter: 16 value: -945.1128 mgc: 230.5796 ustep: 0.03597378 iter: 17 value: -947.7991 mgc: 3.26059 ustep: 0.1897486 iter: 18 value: -952.8195 mgc: 85.34265 ustep: 0.4356578 iter: 19 value: -953.3806 mgc: 155.2302 ustep: 0.06518725 iter: 20 value: -955.0021 mgc: 7.277282 ustep: 0.2553924 iter: 21 value: -957.7385 mgc: 130.6354 ustep: 0.5054131 iter: 22 value: -958.2408 mgc: 85.01626 ustep: 0.1436613 iter: 23 value: -959.3275 mgc: 33.27663 ustep: 0.3790889 iter: 24 value: -960.1904 mgc: 210.8098 ustep: 0.3800752 iter: 25 value: -961.0699 mgc: 28.33678 ustep: 0.6165407 iter: 26 value: -961.5902 mgc: 520.0078 ustep: 0.09161564 iter: 27 value: -961.8774 mgc: 3.787376 ustep: 0.3027505 iter: 28 value: -962.3864 mgc: 134.9377 ustep: 0.5502726 iter: 29 value: -962.879 mgc: 35.06794 ustep: 0.7418295 iter: 30 value: -963.0871 mgc: 280.3875 ustep: 0.3896537 iter: 31 value: -963.2262 mgc: 7.389338 ustep: 0.6242601 iter: 32 value: -963.4106 mgc: 279.7516 ustep: 0.5418217 iter: 33 value: -963.4818 mgc: 2.780649 ustep: 0.4862508 iter: 34 value: -963.595 mgc: 76.91457 ustep: 0.6973472 iter: 35 value: -963.7179 mgc: 11.59268 ustep: 0.8350896 iter: 36 value: -963.8395 mgc: 86.31524 ustep: 0.913841 iter: 37 value: -963.9041 mgc: 4.71897 ustep: 0.9559547 iter: 38 value: -963.9291 mgc: 54.74704 ustep: 0.9777316 iter: 39 value: -963.9293 mgc: 0.6566266 ustep: 0.2446215 iter: 40 value: -963.9294 mgc: 0.2398204 ustep: 0.2890863 iter: 41 value: -963.9295 mgc: 0.1200514 ustep: 0.1753926 iter: 42 value: -963.9296 mgc: 0.01879455 ustep: 0.237649 iter: 43 value: -963.9296 mgc: 0.0186068 ustep: 0.1538824 iter: 44 value: -963.9297 mgc: 0.00463723 ustep: 0.220452 iter: 45 value: -963.9299 mgc: 0.006066836 ustep: 0.4695762 iter: 46 value: -963.93 mgc: 0.02054559 ustep: 0.4389639 iter: 47 value: -963.9301 mgc: 0.008620724 ustep: 0.2377932 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.00334598 outer mgc: 0.02578123 iter: 1 value: -87.16266 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0176 mgc: 3386.071 ustep: 0.002381288 iter: 3 value: -389.5969 mgc: 34.47939 ustep: 0.04889356 iter: 4 value: -450.2711 mgc: 817.6046 ustep: 0.03075696 iter: 5 value: -577.6454 mgc: 44.31922 ustep: 0.09194845 iter: 6 value: -626.3566 mgc: 1128.731 ustep: 0.04415613 iter: 7 value: -761.4796 mgc: 20.72731 ustep: 0.2102126 iter: 8 value: -796.3808 mgc: 1908.295 ustep: 0.07379655 iter: 9 value: -863.0288 mgc: 5.323723 ustep: 0.271728 iter: 10 value: -869.1796 mgc: 607.5283 ustep: 0.01143812 iter: 11 value: -884.0263 mgc: 3.4094 ustep: 0.1070385 iter: 12 value: -915.3861 mgc: 49.77529 ustep: 0.3272346 iter: 13 value: -918.8027 mgc: 130.8787 ustep: 0.05164717 iter: 14 value: -929.3933 mgc: 12.03842 ustep: 0.2273374 iter: 15 value: -944.1666 mgc: 83.06053 ustep: 0.4768514 iter: 16 value: -945.1124 mgc: 230.5807 ustep: 0.03597378 iter: 17 value: -947.7988 mgc: 3.26073 ustep: 0.1897486 iter: 18 value: -952.8194 mgc: 85.33899 ustep: 0.4356578 iter: 19 value: -953.3806 mgc: 155.2311 ustep: 0.06518725 iter: 20 value: -955.0023 mgc: 7.277568 ustep: 0.2553924 iter: 21 value: -957.7387 mgc: 130.641 ustep: 0.5054131 iter: 22 value: -958.2411 mgc: 85.01692 ustep: 0.1436613 iter: 23 value: -959.3279 mgc: 33.2792 ustep: 0.3790889 iter: 24 value: -960.1909 mgc: 210.8139 ustep: 0.3800752 iter: 25 value: -961.0704 mgc: 28.33843 ustep: 0.6165407 iter: 26 value: -961.5907 mgc: 520.0255 ustep: 0.09161564 iter: 27 value: -961.8779 mgc: 3.78766 ustep: 0.3027505 iter: 28 value: -962.387 mgc: 134.9516 ustep: 0.5502726 iter: 29 value: -962.8796 mgc: 35.06621 ustep: 0.7418295 iter: 30 value: -963.0877 mgc: 280.4241 ustep: 0.3896537 iter: 31 value: -963.2268 mgc: 7.388518 ustep: 0.6242601 iter: 32 value: -963.4112 mgc: 279.7778 ustep: 0.5418217 iter: 33 value: -963.5185 mgc: 2.780223 ustep: 0.7361118 iter: 34 value: -963.6392 mgc: 209.3627 ustep: 0.6230873 iter: 35 value: -963.7238 mgc: 0.9144346 ustep: 0.7893798 iter: 36 value: -963.8285 mgc: 87.37793 ustep: 0.8884817 iter: 37 value: -963.8972 mgc: 1.647166 ustep: 0.9425988 iter: 38 value: -963.9271 mgc: 34.51626 ustep: 0.9708782 iter: 39 value: -963.9273 mgc: 0.4132943 ustep: 0.2317824 iter: 40 value: -963.9277 mgc: 0.06018271 ustep: 0.4814897 iter: 41 value: -963.9278 mgc: 0.08512197 ustep: 0.1375149 iter: 42 value: -963.928 mgc: 0.005323304 ustep: 0.3708929 iter: 43 value: -963.9286 mgc: 0.008418371 ustep: 0.6090488 iter: 44 value: -963.929 mgc: 0.01493478 ustep: 0.5313722 iter: 45 value: -963.9291 mgc: 0.00466551 ustep: 0.2784156 iter: 46 value: -963.9292 mgc: 0.004592594 ustep: 0.1709634 iter: 47 value: -963.9294 mgc: 0.004553957 ustep: 0.4135358 iter: 48 value: -963.9296 mgc: 0.004425626 ustep: 0.4025513 iter: 49 value: -963.9297 mgc: 0.004306343 ustep: 0.3953994 iter: 50 value: -963.9297 mgc: 0.004193619 ustep: 0.06003999 iter: 51 value: -963.9298 mgc: 0.004182638 ustep: 0.2451061 iter: 52 value: -963.93 mgc: 0.00412756 ustep: 0.4951324 iter: 53 value: -963.9302 mgc: 0.003967651 ustep: 0.4556072 iter: 54 value: -963.9304 mgc: 0.003835719 ustep: 0.4298862 iter: 55 value: -963.9304 mgc: 0.00372041 ustep: 0.2339352 iter: 56 value: -963.9306 mgc: 0.003674287 ustep: 0.4837202 iter: 57 value: -963.9307 mgc: 0.003537982 ustep: 0.25712 iter: 58 value: -963.9307 mgc: 0.003488462 ustep: 0.2979156 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.003429111 outer mgc: 0.02568201 iter: 1 value: -87.16176 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0231 mgc: 3386.005 ustep: 0.002381288 iter: 3 value: -389.6018 mgc: 34.47699 ustep: 0.04889356 iter: 4 value: -450.2759 mgc: 817.5606 ustep: 0.03075696 iter: 5 value: -577.6499 mgc: 44.31658 ustep: 0.09194845 iter: 6 value: -626.361 mgc: 1128.659 ustep: 0.04415613 iter: 7 value: -761.4841 mgc: 20.72593 ustep: 0.2102126 iter: 8 value: -796.3848 mgc: 1908.14 ustep: 0.07379655 iter: 9 value: -863.0322 mgc: 5.32337 ustep: 0.271728 iter: 10 value: -869.1829 mgc: 607.4768 ustep: 0.01143812 iter: 11 value: -884.0294 mgc: 3.40923 ustep: 0.1070385 iter: 12 value: -915.3885 mgc: 49.77612 ustep: 0.3272346 iter: 13 value: -918.805 mgc: 130.874 ustep: 0.05164717 iter: 14 value: -929.3953 mgc: 12.03865 ustep: 0.2273374 iter: 15 value: -944.168 mgc: 83.05798 ustep: 0.4768514 iter: 16 value: -945.1138 mgc: 230.5715 ustep: 0.03597378 iter: 17 value: -947.8001 mgc: 3.260934 ustep: 0.1897486 iter: 18 value: -952.8205 mgc: 85.34365 ustep: 0.4356578 iter: 19 value: -953.3816 mgc: 155.226 ustep: 0.06518725 iter: 20 value: -955.0032 mgc: 7.277739 ustep: 0.2553924 iter: 21 value: -957.7395 mgc: 130.6346 ustep: 0.5054131 iter: 22 value: -958.2419 mgc: 85.01502 ustep: 0.1436613 iter: 23 value: -959.3286 mgc: 33.27688 ustep: 0.3790889 iter: 24 value: -960.1915 mgc: 210.8044 ustep: 0.3800752 iter: 25 value: -961.071 mgc: 28.33715 ustep: 0.6165407 iter: 26 value: -961.5912 mgc: 519.9894 ustep: 0.09161564 iter: 27 value: -961.8784 mgc: 3.787438 ustep: 0.3027505 iter: 28 value: -962.3875 mgc: 134.937 ustep: 0.5502726 iter: 29 value: -962.8801 mgc: 35.0673 ustep: 0.7418295 iter: 30 value: -963.0882 mgc: 280.3843 ustep: 0.3896537 iter: 31 value: -963.2273 mgc: 7.389196 ustep: 0.6242601 iter: 32 value: -963.3642 mgc: 279.7418 ustep: 0.323079 iter: 33 value: -963.4637 mgc: 2.054469 ustep: 0.5684435 iter: 34 value: -963.6081 mgc: 94.51429 ustep: 0.7539765 iter: 35 value: -963.6373 mgc: 8.55698 ustep: 0.3975273 iter: 36 value: -963.6902 mgc: 19.75492 ustep: 0.6305346 iter: 37 value: -963.7209 mgc: 16.368 ustep: 0.5461643 iter: 38 value: -963.7418 mgc: 7.1604 ustep: 0.4891237 iter: 39 value: -963.7805 mgc: 4.06235 ustep: 0.6994038 iter: 40 value: -963.7845 mgc: 6.979795 ustep: 0.2023932 iter: 41 value: -963.7895 mgc: 0.1290741 ustep: 0.2583114 iter: 42 value: -963.8031 mgc: 0.1759361 ustep: 0.5082926 iter: 43 value: -963.8291 mgc: 0.7750444 ustep: 0.7129751 iter: 44 value: -963.8664 mgc: 1.674263 ustep: 0.8443941 iter: 45 value: -963.9037 mgc: 1.730323 ustep: 0.9189173 iter: 46 value: -963.9066 mgc: 0.80915 ustep: 0.5487965 iter: 47 value: -963.9088 mgc: 0.01295784 ustep: 0.4908673 iter: 48 value: -963.9131 mgc: 0.01165922 ustep: 0.7006492 iter: 49 value: -963.9198 mgc: 0.01063753 ustep: 0.8370642 iter: 50 value: -963.9207 mgc: 0.01097053 ustep: 0.459811 iter: 51 value: -963.9208 mgc: 0.008496957 ustep: 0.06836762 iter: 52 value: -963.921 mgc: 0.008471577 ustep: 0.1406524 iter: 53 value: -963.9216 mgc: 0.008415353 ustep: 0.375099 iter: 54 value: -963.9222 mgc: 0.00821415 ustep: 0.3774609 iter: 55 value: -963.9222 mgc: 0.00801586 ustep: 0.05779802 iter: 56 value: -963.9225 mgc: 0.00799585 ustep: 0.2404882 iter: 57 value: -963.9227 mgc: 0.007893885 ustep: 0.155083 iter: 58 value: -963.9229 mgc: 0.00783522 ustep: 0.221432 iter: 59 value: -963.9233 mgc: 0.007745365 ustep: 0.2723868 iter: 60 value: -963.9236 mgc: 0.007628874 ustep: 0.3085609 iter: 61 value: -963.924 mgc: 0.007492491 ustep: 0.3332786 iter: 62 value: -963.9244 mgc: 0.007342767 ustep: 0.3498459 iter: 63 value: -963.9254 mgc: 0.007185041 ustep: 0.5915186 iter: 64 value: -963.9261 mgc: 0.006784062 ustep: 0.5194541 iter: 65 value: -963.9263 mgc: 0.006497247 ustep: 0.2730069 iter: 66 value: -963.9264 mgc: 0.006399093 ustep: 0.1687132 iter: 67 value: -963.9266 mgc: 0.006346476 ustep: 0.2323871 iter: 68 value: -963.9271 mgc: 0.006269362 ustep: 0.4821172 iter: 69 value: -963.9273 mgc: 0.006041368 ustep: 0.2564178 iter: 70 value: -963.9274 mgc: 0.005958032 ustep: 0.1617848 iter: 71 value: -963.9274 mgc: 0.005911737 ustep: 0.1207023 iter: 72 value: -963.9275 mgc: 0.005878986 ustep: 0.1921984 iter: 73 value: -963.9276 mgc: 0.005822742 ustep: 0.06957197 iter: 74 value: -963.9277 mgc: 0.005805118 ustep: 0.2638386 iter: 75 value: -963.9278 mgc: 0.005721807 ustep: 0.08614765 iter: 76 value: -963.928 mgc: 0.005699975 ustep: 0.2935799 iter: 77 value: -963.928 mgc: 0.005605262 ustep: 0.09293752 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.005582004 outer mgc: 0.04773934 iter: 1 value: -87.12959 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -274.9979 mgc: 3386.158 ustep: 0.002381288 iter: 3 value: -389.5808 mgc: 34.48315 ustep: 0.04889356 iter: 4 value: -450.257 mgc: 817.6281 ustep: 0.03075696 iter: 5 value: -577.6351 mgc: 44.32115 ustep: 0.09194845 iter: 6 value: -626.3479 mgc: 1128.778 ustep: 0.04415613 iter: 7 value: -761.4742 mgc: 20.72755 ustep: 0.2102126 iter: 8 value: -796.3769 mgc: 1908.397 ustep: 0.07379655 iter: 9 value: -863.0267 mgc: 5.32451 ustep: 0.271728 iter: 10 value: -869.1775 mgc: 607.5618 ustep: 0.01143812 iter: 11 value: -884.0245 mgc: 3.409845 ustep: 0.1070385 iter: 12 value: -915.3849 mgc: 49.77458 ustep: 0.3272346 iter: 13 value: -918.8015 mgc: 130.8904 ustep: 0.05164717 iter: 14 value: -929.3923 mgc: 12.03823 ustep: 0.2273374 iter: 15 value: -944.1656 mgc: 83.07135 ustep: 0.4768514 iter: 16 value: -945.1114 mgc: 230.5889 ustep: 0.03597378 iter: 17 value: -947.7978 mgc: 3.260386 ustep: 0.1897486 iter: 18 value: -952.8184 mgc: 85.338 ustep: 0.4356578 iter: 19 value: -953.3795 mgc: 155.2353 ustep: 0.06518725 iter: 20 value: -955.0012 mgc: 7.277111 ustep: 0.2553924 iter: 21 value: -957.7376 mgc: 130.6418 ustep: 0.5054131 iter: 22 value: -958.24 mgc: 85.01816 ustep: 0.1436613 iter: 23 value: -959.3268 mgc: 33.27896 ustep: 0.3790889 iter: 24 value: -960.1898 mgc: 210.8193 ustep: 0.3800752 iter: 25 value: -961.0693 mgc: 28.33805 ustep: 0.6165407 iter: 26 value: -961.5896 mgc: 520.0438 ustep: 0.09161564 iter: 27 value: -961.8768 mgc: 3.787597 ustep: 0.3027505 iter: 28 value: -962.3859 mgc: 134.9523 ustep: 0.5502726 iter: 29 value: -962.8785 mgc: 35.06685 ustep: 0.7418295 iter: 30 value: -963.0866 mgc: 280.4272 ustep: 0.3896537 iter: 31 value: -963.2257 mgc: 7.38866 ustep: 0.6242601 iter: 32 value: -963.4102 mgc: 279.7876 ustep: 0.5418217 iter: 33 value: -963.5174 mgc: 2.780158 ustep: 0.7361118 iter: 34 value: -963.6381 mgc: 209.3749 ustep: 0.6230873 iter: 35 value: -963.7227 mgc: 0.9142397 ustep: 0.7893798 iter: 36 value: -963.7696 mgc: 87.38439 ustep: 0.6659898 iter: 37 value: -963.7784 mgc: 0.9128872 ustep: 0.3450668 iter: 38 value: -963.7983 mgc: 2.170287 ustep: 0.5874651 iter: 39 value: -963.832 mgc: 3.135812 ustep: 0.7664861 iter: 40 value: -963.8381 mgc: 3.3674 ustep: 0.4059021 iter: 41 value: -963.8437 mgc: 0.1650165 ustep: 0.3975822 iter: 42 value: -963.856 mgc: 0.108823 ustep: 0.6305782 iter: 43 value: -963.8593 mgc: 0.3266982 ustep: 0.3263165 iter: 44 value: -963.8673 mgc: 0.02190554 ustep: 0.571284 iter: 45 value: -963.8678 mgc: 0.09793578 ustep: 0.08431519 iter: 46 value: -963.8689 mgc: 0.01877977 ustep: 0.1576314 iter: 47 value: -963.8705 mgc: 0.01856393 ustep: 0.2235039 iter: 48 value: -963.8752 mgc: 0.01823892 ustep: 0.4728147 iter: 49 value: -963.8768 mgc: 0.02565031 ustep: 0.2523585 iter: 50 value: -963.8788 mgc: 0.01707663 ustep: 0.2945648 iter: 51 value: -963.881 mgc: 0.01678105 ustep: 0.3237901 iter: 52 value: -963.8821 mgc: 0.01645008 ustep: 0.1897416 iter: 53 value: -963.8853 mgc: 0.01629008 ustep: 0.4356498 iter: 54 value: -963.8882 mgc: 0.01578179 ustep: 0.4169246 iter: 55 value: -963.8907 mgc: 0.01532649 ustep: 0.4047557 iter: 56 value: -963.893 mgc: 0.01490689 ustep: 0.3968356 iter: 57 value: -963.8982 mgc: 0.01451284 ustep: 0.6299859 iter: 58 value: -963.8996 mgc: 0.01356508 ustep: 0.3260117 iter: 59 value: -963.901 mgc: 0.01330145 ustep: 0.3449977 iter: 60 value: -963.9025 mgc: 0.01302086 ustep: 0.3576297 iter: 61 value: -963.9031 mgc: 0.01273126 ustep: 0.2037242 iter: 62 value: -963.9033 mgc: 0.01259963 ustep: 0.07228114 iter: 63 value: -963.9042 mgc: 0.01255968 ustep: 0.2689246 iter: 64 value: -963.9067 mgc: 0.01237399 ustep: 0.5186276 iter: 65 value: -963.9075 mgc: 0.01185385 ustep: 0.272634 iter: 66 value: -963.9079 mgc: 0.01167571 ustep: 0.168558 iter: 67 value: -963.9085 mgc: 0.01158018 ustep: 0.232264 iter: 68 value: -963.9093 mgc: 0.01143939 ustep: 0.2802425 iter: 69 value: -963.9113 mgc: 0.01126111 ustep: 0.5294264 iter: 70 value: -963.9116 mgc: 0.01076883 ustep: 0.1500017 iter: 71 value: -963.9121 mgc: 0.01069217 ustep: 0.2172662 iter: 72 value: -963.9135 mgc: 0.01057296 ustep: 0.4661716 iter: 73 value: -963.9138 mgc: 0.01021087 ustep: 0.1336585 iter: 74 value: -963.9142 mgc: 0.0101473 ustep: 0.203523 iter: 75 value: -963.9147 mgc: 0.0100431 ustep: 0.2591571 iter: 76 value: -963.915 mgc: 0.009902451 ustep: 0.162932 iter: 77 value: -963.9154 mgc: 0.009824807 ustep: 0.2277778 iter: 78 value: -963.9166 mgc: 0.00970854 ustep: 0.477313 iter: 79 value: -963.9176 mgc: 0.009361418 ustep: 0.4439964 iter: 80 value: -963.9178 mgc: 0.009067349 ustep: 0.128173 iter: 81 value: -963.9181 mgc: 0.009013529 ustep: 0.198779 iter: 82 value: -963.9182 mgc: 0.008923604 ustep: 0.07112163 iter: 83 value: -963.9184 mgc: 0.008895937 ustep: 0.1436911 iter: 84 value: -963.9185 mgc: 0.008835709 ustep: 0.112309 iter: 85 value: -963.9191 mgc: 0.008790529 ustep: 0.3351918 iter: 86 value: -963.9196 mgc: 0.008614056 ustep: 0.3511195 iter: 87 value: -963.9197 mgc: 0.008428685 ustep: 0.0545521 iter: 88 value: -963.9198 mgc: 0.008408965 ustep: 0.124568 iter: 89 value: -963.92 mgc: 0.008360607 ustep: 0.1031181 iter: 90 value: -963.9201 mgc: 0.008321714 ustep: 0.09229144 iter: 91 value: -963.9205 mgc: 0.008287459 ustep: 0.3038647 iter: 92 value: -963.9207 mgc: 0.008142924 ustep: 0.1815103 iter: 93 value: -963.921 mgc: 0.008070141 ustep: 0.2424124 iter: 94 value: -963.9214 mgc: 0.007966449 ustep: 0.287514 iter: 95 value: -963.9223 mgc: 0.007837769 ustep: 0.5362497 iter: 96 value: -963.9224 mgc: 0.007488216 ustep: 0.07903492 iter: 97 value: -963.9225 mgc: 0.007462359 ustep: 0.07921308 iter: 98 value: -963.9225 mgc: 0.007436525 ustep: 0.07931449 iter: 99 value: -963.9228 mgc: 0.007410741 ustep: 0.2817001 iter: 100 value: -963.9232 mgc: 0.007295113 ustep: 0.3149876 iter: 101 value: -963.9235 mgc: 0.007161908 ustep: 0.3376079 iter: 102 value: -963.9244 mgc: 0.007017121 ustep: 0.5810823 iter: 103 value: -963.925 mgc: 0.006643241 ustep: 0.5124155 iter: 104 value: -963.9255 mgc: 0.006371122 ustep: 0.4669059 iter: 105 value: -963.9256 mgc: 0.006151841 ustep: 0.1338421 iter: 106 value: -963.9256 mgc: 0.006113386 ustep: 0.1076219 iter: 107 value: -963.9257 mgc: 0.006083514 ustep: 0.1803021 iter: 108 value: -963.9258 mgc: 0.006029495 ustep: 0.1290541 iter: 109 value: -963.9259 mgc: 0.005993316 ustep: 0.1995458 iter: 110 value: -963.9261 mgc: 0.005933036 ustep: 0.2561739 iter: 111 value: -963.9266 mgc: 0.005850867 ustep: 0.5061856 iter: 112 value: -963.9275 mgc: 0.005615775 ustep: 0.7114961 iter: 113 value: -963.9277 mgc: 0.005100394 ustep: 0.3709648 iter: 114 value: -963.9279 mgc: 0.004979961 ustep: 0.3747489 iter: 115 value: -963.9279 mgc: 0.004860402 ustep: 0.05746145 iter: 116 value: -963.928 mgc: 0.00484827 ustep: 0.2397872 iter: 117 value: -963.928 mgc: 0.004786278 ustep: 0.1547868 iter: 118 value: -963.9281 mgc: 0.004750545 ustep: 0.2211905 iter: 119 value: -963.9284 mgc: 0.004695746 ustep: 0.4703619 iter: 120 value: -963.9286 mgc: 0.004530242 ustep: 0.4394748 iter: 121 value: -963.9287 mgc: 0.004388555 ustep: 0.4194089 iter: 122 value: -963.9288 mgc: 0.004261668 ustep: 0.06308853 iter: 123 value: -963.9288 mgc: 0.004249872 ustep: 0.1346826 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.004222775 outer mgc: 0.04796513 iter: 1 value: -87.20385 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0506 mgc: 3385.866 ustep: 0.002381288 iter: 3 value: -389.625 mgc: 34.47963 ustep: 0.04889356 iter: 4 value: -450.2965 mgc: 817.5625 ustep: 0.03075696 iter: 5 value: -577.6649 mgc: 44.31766 ustep: 0.09194845 iter: 6 value: -626.3737 mgc: 1128.654 ustep: 0.04415613 iter: 7 value: -761.4904 mgc: 20.72665 ustep: 0.2102126 iter: 8 value: -796.3894 mgc: 1908.113 ustep: 0.07379655 iter: 9 value: -863.0344 mgc: 5.323962 ustep: 0.271728 iter: 10 value: -869.1847 mgc: 607.4578 ustep: 0.01143812 iter: 11 value: -884.0307 mgc: 3.409483 ustep: 0.1070385 iter: 12 value: -915.3892 mgc: 49.77485 ustep: 0.3272346 iter: 13 value: -918.8056 mgc: 130.8679 ustep: 0.05164717 iter: 14 value: -929.3958 mgc: 12.03833 ustep: 0.2273374 iter: 15 value: -944.1685 mgc: 83.05268 ustep: 0.4768514 iter: 16 value: -945.1143 mgc: 230.5723 ustep: 0.03597378 iter: 17 value: -947.8007 mgc: 3.260443 ustep: 0.1897486 iter: 18 value: -952.8211 mgc: 85.33369 ustep: 0.4356578 iter: 19 value: -953.3822 mgc: 155.227 ustep: 0.06518725 iter: 20 value: -955.0039 mgc: 7.276561 ustep: 0.2553924 iter: 21 value: -957.7403 mgc: 130.6329 ustep: 0.5054131 iter: 22 value: -958.2426 mgc: 85.01583 ustep: 0.1436613 iter: 23 value: -959.3294 mgc: 33.27602 ustep: 0.3790889 iter: 24 value: -960.1923 mgc: 210.8054 ustep: 0.3800752 iter: 25 value: -961.0718 mgc: 28.3364 ustep: 0.6165407 iter: 26 value: -961.592 mgc: 519.9929 ustep: 0.09161564 iter: 27 value: -961.8792 mgc: 3.787332 ustep: 0.3027505 iter: 28 value: -962.3883 mgc: 134.9339 ustep: 0.5502726 iter: 29 value: -962.8809 mgc: 35.06772 ustep: 0.7418295 iter: 30 value: -963.089 mgc: 280.3752 ustep: 0.3896537 iter: 31 value: -963.2281 mgc: 7.389436 ustep: 0.6242601 iter: 32 value: -963.4125 mgc: 279.7371 ustep: 0.5418217 iter: 33 value: -963.5197 mgc: 2.780752 ustep: 0.7361118 iter: 34 value: -963.6404 mgc: 209.3346 ustep: 0.6230873 iter: 35 value: -963.725 mgc: 0.9147943 ustep: 0.7893798 iter: 36 value: -963.8297 mgc: 87.36572 ustep: 0.8884817 iter: 37 value: -963.8984 mgc: 1.64748 ustep: 0.9425988 iter: 38 value: -963.9283 mgc: 34.51002 ustep: 0.9708782 iter: 39 value: -963.9334 mgc: 0.4133423 ustep: 0.985333 iter: 40 value: -963.9335 mgc: 1.101963 ustep: 0.7068746 iter: 41 value: -963.9335 mgc: 0.001354371 ustep: 0.3682266 iter: 42 value: -963.9335 mgc: 0.001322653 ustep: 0.3729508 iter: 43 value: -963.9336 mgc: 0.001291041 ustep: 0.3760521 iter: 44 value: -963.9336 mgc: 0.001259763 ustep: 0.3780856 iter: 45 value: -963.9336 mgc: 0.001228965 ustep: 0.2122086 iter: 46 value: -963.9336 mgc: 0.001215465 ustep: 0.4607149 iter: 47 value: -963.9336 mgc: 0.001174069 ustep: 0.4332045 iter: 48 value: -963.9336 mgc: 0.00113814 ustep: 0.2353434 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.001123848 outer mgc: 0.03204774 iter: 1 value: -87.08751 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -274.9704 mgc: 3386.297 ustep: 0.002381288 iter: 3 value: -389.5577 mgc: 34.4805 ustep: 0.04889356 iter: 4 value: -450.2364 mgc: 817.6262 ustep: 0.03075696 iter: 5 value: -577.62 mgc: 44.32008 ustep: 0.09194845 iter: 6 value: -626.3352 mgc: 1128.782 ustep: 0.04415613 iter: 7 value: -761.468 mgc: 20.72684 ustep: 0.2102126 iter: 8 value: -796.3723 mgc: 1908.424 ustep: 0.07379655 iter: 9 value: -863.0245 mgc: 5.323918 ustep: 0.271728 iter: 10 value: -869.1757 mgc: 607.5809 ustep: 0.01143812 iter: 11 value: -884.0232 mgc: 3.409592 ustep: 0.1070385 iter: 12 value: -915.3843 mgc: 49.77585 ustep: 0.3272346 iter: 13 value: -918.8009 mgc: 130.8966 ustep: 0.05164717 iter: 14 value: -929.3918 mgc: 12.03855 ustep: 0.2273374 iter: 15 value: -944.1651 mgc: 83.07665 ustep: 0.4768514 iter: 16 value: -945.1109 mgc: 230.5881 ustep: 0.03597378 iter: 17 value: -947.7973 mgc: 3.260878 ustep: 0.1897486 iter: 18 value: -952.8178 mgc: 85.34795 ustep: 0.4356578 iter: 19 value: -953.3789 mgc: 155.2344 ustep: 0.06518725 iter: 20 value: -954.2783 mgc: 7.278289 ustep: 0.1370798 iter: 21 value: -956.4226 mgc: 35.08063 ustep: 0.3703059 iter: 22 value: -957.9786 mgc: 160.9288 ustep: 0.3743163 iter: 23 value: -959.7419 mgc: 41.29741 ustep: 0.6118528 iter: 24 value: -960.3405 mgc: 472.5724 ustep: 0.09083069 iter: 25 value: -960.8096 mgc: 5.471347 ustep: 0.3014512 iter: 26 value: -961.6518 mgc: 190.8416 ustep: 0.5490908 iter: 27 value: -962.093 mgc: 33.3714 ustep: 0.4910624 iter: 28 value: -962.4623 mgc: 220.959 ustep: 0.4529523 iter: 29 value: -962.7595 mgc: 17.67723 ustep: 0.67305 iter: 30 value: -963.0501 mgc: 401.9189 ustep: 0.3489403 iter: 31 value: -963.1992 mgc: 4.340175 ustep: 0.5907526 iter: 32 value: -963.4753 mgc: 233.7501 ustep: 0.7686275 iter: 33 value: -963.5234 mgc: 3.390179 ustep: 0.8767264 iter: 34 value: -963.7361 mgc: 357.963 ustep: 0.4975778 iter: 35 value: -963.7792 mgc: 3.178842 ustep: 0.7054214 iter: 36 value: -963.8359 mgc: 39.46236 ustep: 0.8399097 iter: 37 value: -963.8438 mgc: 3.170825 ustep: 0.4622928 iter: 38 value: -963.85 mgc: 2.245708 ustep: 0.4342297 iter: 39 value: -963.8511 mgc: 0.6513417 ustep: 0.12579 iter: 40 value: -963.8529 mgc: 0.02286027 ustep: 0.1966955 iter: 41 value: -963.8541 mgc: 0.04293345 ustep: 0.136288 iter: 42 value: -963.8582 mgc: 0.0215859 ustep: 0.3692351 iter: 43 value: -963.8621 mgc: 0.1161541 ustep: 0.3736132 iter: 44 value: -963.8629 mgc: 0.08208991 ustep: 0.1113665 iter: 45 value: -963.8643 mgc: 0.01986858 ustep: 0.1837603 iter: 46 value: -963.8687 mgc: 0.01958676 ustep: 0.4287299 iter: 47 value: -963.8725 mgc: 0.07549965 ustep: 0.4124294 iter: 48 value: -963.881 mgc: 0.04970874 ustep: 0.6422424 iter: 49 value: -963.8862 mgc: 0.1727417 ustep: 0.5543216 iter: 50 value: -963.8959 mgc: 0.05359644 ustep: 0.7445533 iter: 51 value: -963.8967 mgc: 0.1193181 ustep: 0.2198487 iter: 52 value: -963.8993 mgc: 0.01366329 ustep: 0.4689334 iter: 53 value: -963.9046 mgc: 0.01318208 ustep: 0.6848187 iter: 54 value: -963.9129 mgc: 0.02157647 ustep: 0.827555 iter: 55 value: -963.9142 mgc: 0.02817136 ustep: 0.451727 iter: 56 value: -963.9144 mgc: 0.00979015 ustep: 0.1300731 iter: 57 value: -963.9152 mgc: 0.009730805 ustep: 0.3607204 iter: 58 value: -963.917 mgc: 0.009511992 ustep: 0.60064 iter: 59 value: -963.9173 mgc: 0.008962806 ustep: 0.1700617 iter: 60 value: -963.9176 mgc: 0.008888609 ustep: 0.2334547 iter: 61 value: -963.9186 mgc: 0.008779694 ustep: 0.4832232 iter: 62 value: -963.9195 mgc: 0.008457599 ustep: 0.4478439 iter: 63 value: -963.9196 mgc: 0.008187141 ustep: 0.1291171 iter: 64 value: -963.9198 mgc: 0.008138 ustep: 0.1996006 iter: 65 value: -963.9206 mgc: 0.008056172 ustep: 0.4468221 iter: 66 value: -963.9212 mgc: 0.007799526 ustep: 0.4241805 iter: 67 value: -963.9213 mgc: 0.007572231 ustep: 0.1233574 iter: 68 value: -963.9217 mgc: 0.007529059 ustep: 0.3512875 iter: 69 value: -963.9228 mgc: 0.007366469 ustep: 0.5927359 iter: 70 value: -963.9229 mgc: 0.006953645 ustep: 0.1677269 iter: 71 value: -963.9234 mgc: 0.006896941 ustep: 0.4096038 iter: 72 value: -963.9235 mgc: 0.006708328 ustep: 0.1198607 iter: 73 value: -963.9238 mgc: 0.006671572 ustep: 0.3462744 iter: 74 value: -963.9241 mgc: 0.006531488 ustep: 0.3584753 iter: 75 value: -963.9243 mgc: 0.006386851 ustep: 0.2040743 iter: 76 value: -963.9245 mgc: 0.006321139 ustep: 0.2595692 iter: 77 value: -963.9247 mgc: 0.006232504 ustep: 0.2996332 iter: 78 value: -963.9248 mgc: 0.006126107 ustep: 0.1797602 iter: 79 value: -963.9249 mgc: 0.006072066 ustep: 0.1288126 iter: 80 value: -963.925 mgc: 0.006035815 ustep: 0.1993358 iter: 81 value: -963.9254 mgc: 0.005975363 ustep: 0.4465258 iter: 82 value: -963.9255 mgc: 0.005785455 ustep: 0.2410213 iter: 83 value: -963.9255 mgc: 0.005711621 ustep: 0.04130967 iter: 84 value: -963.9257 mgc: 0.005701619 ustep: 0.2033275 iter: 85 value: -963.926 mgc: 0.005642965 ustep: 0.4509734 iter: 86 value: -963.9263 mgc: 0.005460083 ustep: 0.4268765 iter: 87 value: -963.9266 mgc: 0.005298966 ustep: 0.4112251 iter: 88 value: -963.9268 mgc: 0.005151923 ustep: 0.4010477 iter: 89 value: -963.9269 mgc: 0.005014582 ustep: 0.2217872 iter: 90 value: -963.927 mgc: 0.004956774 ustep: 0.272646 iter: 91 value: -963.9271 mgc: 0.004881851 ustep: 0.3087405 iter: 92 value: -963.9275 mgc: 0.004794127 ustep: 0.5556886 iter: 93 value: -963.9276 mgc: 0.004560081 ustep: 0.2896482 iter: 94 value: -963.9279 mgc: 0.00448499 ustep: 0.5382359 iter: 95 value: -963.9279 mgc: 0.004279844 ustep: 0.07932677 iter: 96 value: -963.928 mgc: 0.004264732 ustep: 0.2817219 iter: 97 value: -963.9281 mgc: 0.004196995 ustep: 0.3150026 iter: 98 value: -963.9282 mgc: 0.004119006 ustep: 0.337618 iter: 99 value: -963.9285 mgc: 0.004034286 ustep: 0.5810909 iter: 100 value: -963.9287 mgc: 0.003815844 ustep: 0.5124213 iter: 101 value: -963.9288 mgc: 0.003657036 ustep: 0.2698427 iter: 102 value: -963.9288 mgc: 0.003602007 ustep: 0.167395 iter: 103 value: -963.9288 mgc: 0.00357231 ustep: 0.2313407 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.003528385 outer mgc: 0.03212555 iter: 1 value: -87.14509 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.01 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5909 mgc: 34.48006 ustep: 0.04889356 iter: 4 value: -450.266 mgc: 817.5944 ustep: 0.03075696 iter: 5 value: -577.6421 mgc: 44.31889 ustep: 0.09194845 iter: 6 value: -626.3541 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4788 mgc: 20.72677 ustep: 0.2102126 iter: 8 value: -796.3805 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0293 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.18 mgc: 607.5191 ustep: 0.01143812 iter: 11 value: -884.0268 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3867 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8032 mgc: 130.8823 ustep: 0.05164717 iter: 14 value: -929.3939 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.167 mgc: 83.06468 ustep: 0.4768514 iter: 16 value: -945.1128 mgc: 230.5801 ustep: 0.03597378 iter: 17 value: -947.7992 mgc: 3.26067 ustep: 0.1897486 iter: 18 value: -952.8198 mgc: 85.34081 ustep: 0.4356578 iter: 19 value: -953.3809 mgc: 155.2306 ustep: 0.06518725 iter: 20 value: -955.0025 mgc: 7.277437 ustep: 0.2553924 iter: 21 value: -957.739 mgc: 130.6385 ustep: 0.5054131 iter: 22 value: -958.2414 mgc: 85.01645 ustep: 0.1436613 iter: 23 value: -959.3281 mgc: 33.27805 ustep: 0.3790889 iter: 24 value: -960.1911 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0706 mgc: 28.33767 ustep: 0.6165407 iter: 26 value: -961.5909 mgc: 520.0172 ustep: 0.09161564 iter: 27 value: -961.8781 mgc: 3.787526 ustep: 0.3027505 iter: 28 value: -962.3872 mgc: 134.9452 ustep: 0.5502726 iter: 29 value: -962.8797 mgc: 35.06696 ustep: 0.7418295 iter: 30 value: -963.0879 mgc: 280.4078 ustep: 0.3896537 iter: 31 value: -963.2269 mgc: 7.388871 ustep: 0.6242601 iter: 32 value: -963.4114 mgc: 279.7666 ustep: 0.5418217 iter: 33 value: -963.5186 mgc: 2.78039 ustep: 0.7361118 iter: 34 value: -963.6393 mgc: 209.3565 ustep: 0.6230873 iter: 35 value: -963.7239 mgc: 0.9145125 ustep: 0.7893798 iter: 36 value: -963.8285 mgc: 87.37539 ustep: 0.8884817 iter: 37 value: -963.8973 mgc: 1.647244 ustep: 0.9425988 iter: 38 value: -963.9272 mgc: 34.51485 ustep: 0.9708782 iter: 39 value: -963.9323 mgc: 0.4133102 ustep: 0.985333 iter: 40 value: -963.9323 mgc: 1.102185 ustep: 0.4585435 iter: 41 value: -963.9324 mgc: 0.001438892 ustep: 0.2461808 iter: 42 value: -963.9324 mgc: 0.001419688 ustep: 0.1574843 iter: 43 value: -963.9324 mgc: 0.00140878 ustep: 0.3969033 iter: 44 value: -963.9324 mgc: 0.001371631 ustep: 0.2200531 iter: 45 value: -963.9324 mgc: 0.001355901 ustep: 0.4691512 iter: 46 value: -963.9324 mgc: 0.001308312 ustep: 0.1344041 iter: 47 value: -963.9324 mgc: 0.001300003 ustep: 0.2041624 iter: 48 value: -963.9324 mgc: 0.001286414 ustep: 0.259635 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.001268096 outer mgc: 0.03450375 iter: 1 value: -87.14628 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0109 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5918 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2668 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6429 mgc: 44.31884 ustep: 0.09194845 iter: 6 value: -626.3549 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4795 mgc: 20.72671 ustep: 0.2102126 iter: 8 value: -796.3812 mgc: 1908.268 ustep: 0.07379655 iter: 9 value: -863.0295 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1804 mgc: 607.5195 ustep: 0.01143812 iter: 11 value: -884.0271 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3867 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8033 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3937 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1666 mgc: 83.06464 ustep: 0.4768514 iter: 16 value: -945.1124 mgc: 230.5803 ustep: 0.03597378 iter: 17 value: -947.7987 mgc: 3.26065 ustep: 0.1897486 iter: 18 value: -952.8191 mgc: 85.34084 ustep: 0.4356578 iter: 19 value: -953.3803 mgc: 155.2308 ustep: 0.06518725 iter: 20 value: -955.0019 mgc: 7.277413 ustep: 0.2553924 iter: 21 value: -957.7382 mgc: 130.6379 ustep: 0.5054131 iter: 22 value: -958.2406 mgc: 85.01674 ustep: 0.1436613 iter: 23 value: -959.3273 mgc: 33.27779 ustep: 0.3790889 iter: 24 value: -960.1902 mgc: 210.8118 ustep: 0.3800752 iter: 25 value: -961.0697 mgc: 28.33753 ustep: 0.6165407 iter: 26 value: -961.59 mgc: 520.0161 ustep: 0.09161564 iter: 27 value: -961.8772 mgc: 3.78751 ustep: 0.3027505 iter: 28 value: -962.3863 mgc: 134.9441 ustep: 0.5502726 iter: 29 value: -962.8788 mgc: 35.06719 ustep: 0.7418295 iter: 30 value: -963.087 mgc: 280.4038 ustep: 0.3896537 iter: 31 value: -963.2261 mgc: 7.388985 ustep: 0.6242601 iter: 32 value: -963.4105 mgc: 279.7628 ustep: 0.5418217 iter: 33 value: -963.5177 mgc: 2.780483 ustep: 0.7361118 iter: 34 value: -963.6384 mgc: 209.3536 ustep: 0.6230873 iter: 35 value: -963.723 mgc: 0.9145898 ustep: 0.7893798 iter: 36 value: -963.8277 mgc: 87.37447 ustep: 0.8884817 iter: 37 value: -963.8965 mgc: 1.647297 ustep: 0.9425988 iter: 38 value: -963.9264 mgc: 34.51461 ustep: 0.9708782 iter: 39 value: -963.9315 mgc: 0.4133183 ustep: 0.985333 iter: 40 value: -963.9315 mgc: 1.102186 ustep: 0.2641363 iter: 41 value: -963.9315 mgc: 0.001467641 ustep: 0.165014 iter: 42 value: -963.9315 mgc: 0.001455725 ustep: 0.06307026 iter: 43 value: -963.9315 mgc: 0.001451678 ustep: 0.1346616 iter: 44 value: -963.9315 mgc: 0.001442381 ustep: 0.1080155 iter: 45 value: -963.9315 mgc: 0.001435182 ustep: 0.09482078 iter: 46 value: -963.9315 mgc: 0.001428982 ustep: 0.1681172 iter: 47 value: -963.9315 mgc: 0.00141712 ustep: 0.1235827 iter: 48 value: -963.9315 mgc: 0.001408892 ustep: 0.1947527 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.001395008 outer mgc: 0.03449209 iter: 1 value: -87.13795 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0124 mgc: 3386.162 ustep: 0.002381288 iter: 3 value: -389.5934 mgc: 34.47879 ustep: 0.04889356 iter: 4 value: -450.2687 mgc: 817.6061 ustep: 0.03075696 iter: 5 value: -577.6447 mgc: 44.31727 ustep: 0.09194845 iter: 6 value: -626.3569 mgc: 1128.731 ustep: 0.04415613 iter: 7 value: -761.4813 mgc: 20.72594 ustep: 0.2102126 iter: 8 value: -796.383 mgc: 1908.276 ustep: 0.07379655 iter: 9 value: -863.0309 mgc: 5.323928 ustep: 0.271728 iter: 10 value: -869.1819 mgc: 607.5194 ustep: 0.01143812 iter: 11 value: -884.0285 mgc: 3.409519 ustep: 0.1070385 iter: 12 value: -915.3879 mgc: 49.77527 ustep: 0.3272346 iter: 13 value: -918.8043 mgc: 130.8828 ustep: 0.05164717 iter: 14 value: -929.3948 mgc: 12.03841 ustep: 0.2273374 iter: 15 value: -944.1676 mgc: 83.06444 ustep: 0.4768514 iter: 16 value: -945.1133 mgc: 230.5818 ustep: 0.03597378 iter: 17 value: -947.7997 mgc: 3.260326 ustep: 0.1897486 iter: 18 value: -952.8202 mgc: 85.33277 ustep: 0.4356578 iter: 19 value: -953.3813 mgc: 155.2326 ustep: 0.06518725 iter: 20 value: -955.0029 mgc: 7.276461 ustep: 0.2553924 iter: 21 value: -957.7393 mgc: 130.6349 ustep: 0.5054131 iter: 22 value: -958.2417 mgc: 85.01861 ustep: 0.1436613 iter: 23 value: -959.3284 mgc: 33.27633 ustep: 0.3790889 iter: 24 value: -960.1913 mgc: 210.8111 ustep: 0.3800752 iter: 25 value: -961.0708 mgc: 28.33693 ustep: 0.6165407 iter: 26 value: -961.5911 mgc: 520.0071 ustep: 0.09161564 iter: 27 value: -961.8783 mgc: 3.7874 ustep: 0.3027505 iter: 28 value: -962.3874 mgc: 134.9373 ustep: 0.5502726 iter: 29 value: -962.8799 mgc: 35.06847 ustep: 0.7418295 iter: 30 value: -963.088 mgc: 280.3849 ustep: 0.3896537 iter: 31 value: -963.2271 mgc: 7.389513 ustep: 0.6242601 iter: 32 value: -963.4115 mgc: 279.7486 ustep: 0.5418217 iter: 33 value: -963.5187 mgc: 2.780807 ustep: 0.7361118 iter: 34 value: -963.6394 mgc: 209.344 ustep: 0.6230873 iter: 35 value: -963.724 mgc: 0.9148305 ustep: 0.7893798 iter: 36 value: -963.8287 mgc: 87.37038 ustep: 0.8884817 iter: 37 value: -963.8313 mgc: 1.647526 ustep: 0.163475 iter: 38 value: -963.8346 mgc: 1.050315 ustep: 0.228213 iter: 39 value: -963.8432 mgc: 1.003718 ustep: 0.4777686 iter: 40 value: -963.8438 mgc: 2.028154 ustep: 0.07078503 iter: 41 value: -963.8469 mgc: 0.02382008 ustep: 0.266128 iter: 42 value: -963.8505 mgc: 0.1637708 ustep: 0.3042141 iter: 43 value: -963.8543 mgc: 0.1382951 ustep: 0.3303409 iter: 44 value: -963.8581 mgc: 0.112329 ustep: 0.3478881 iter: 45 value: -963.8673 mgc: 0.09097664 ustep: 0.5898614 iter: 46 value: -963.8834 mgc: 0.3436393 ustep: 0.7680475 iter: 47 value: -963.9043 mgc: 0.6199741 ustep: 0.8763956 iter: 48 value: -963.9067 mgc: 0.490751 ustep: 0.4972298 iter: 49 value: -963.9071 mgc: 0.01207505 ustep: 0.1415408 iter: 50 value: -963.9077 mgc: 0.01199335 ustep: 0.2102205 iter: 51 value: -963.9079 mgc: 0.01186303 ustep: 0.07379839 iter: 52 value: -963.9082 mgc: 0.01182416 ustep: 0.1465988 iter: 53 value: -963.9085 mgc: 0.011741 ustep: 0.1136757 iter: 54 value: -963.909 mgc: 0.01167927 ustep: 0.1858712 iter: 55 value: -963.9093 mgc: 0.01157049 ustep: 0.1315267 iter: 56 value: -963.9098 mgc: 0.01149882 ustep: 0.2016878 iter: 57 value: -963.9114 mgc: 0.01138059 ustep: 0.4491517 iter: 58 value: -963.9148 mgc: 0.01101215 ustep: 0.6702208 iter: 59 value: -963.9203 mgc: 0.01016715 ustep: 0.8186883 iter: 60 value: -963.9266 mgc: 0.009396466 ustep: 0.9048235 iter: 61 value: -963.931 mgc: 0.006182204 ustep: 0.951227 iter: 62 value: -963.9312 mgc: 0.003431721 ustep: 0.6034409 iter: 63 value: -963.9313 mgc: 0.003229649 ustep: 0.3126157 iter: 64 value: -963.9313 mgc: 0.003170331 ustep: 0.1851269 iter: 65 value: -963.9314 mgc: 0.003140965 ustep: 0.4303207 iter: 66 value: -963.9314 mgc: 0.003046183 ustep: 0.2341195 iter: 67 value: -963.9314 mgc: 0.00300829 ustep: 0.04048207 iter: 68 value: -963.9315 mgc: 0.003003068 ustep: 0.2012815 iter: 69 value: -963.9315 mgc: 0.002972193 ustep: 0.4486991 iter: 70 value: -963.9316 mgc: 0.002875621 ustep: 0.4253995 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.002790307 outer mgc: 0.06783319 iter: 1 value: -87.15338 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0085 mgc: 3386.001 ustep: 0.002381288 iter: 3 value: -389.5892 mgc: 34.48134 ustep: 0.04889356 iter: 4 value: -450.2641 mgc: 817.5826 ustep: 0.03075696 iter: 5 value: -577.6402 mgc: 44.32046 ustep: 0.09194845 iter: 6 value: -626.352 mgc: 1128.705 ustep: 0.04415613 iter: 7 value: -761.4771 mgc: 20.72754 ustep: 0.2102126 iter: 8 value: -796.3786 mgc: 1908.261 ustep: 0.07379655 iter: 9 value: -863.0279 mgc: 5.323952 ustep: 0.271728 iter: 10 value: -869.1784 mgc: 607.5192 ustep: 0.01143812 iter: 11 value: -884.0254 mgc: 3.409556 ustep: 0.1070385 iter: 12 value: -915.3855 mgc: 49.77543 ustep: 0.3272346 iter: 13 value: -918.8021 mgc: 130.8817 ustep: 0.05164717 iter: 14 value: -929.3928 mgc: 12.03847 ustep: 0.2273374 iter: 15 value: -944.166 mgc: 83.06489 ustep: 0.4768514 iter: 16 value: -945.1118 mgc: 230.5786 ustep: 0.03597378 iter: 17 value: -947.7982 mgc: 3.260994 ustep: 0.1897486 iter: 18 value: -952.8187 mgc: 85.34888 ustep: 0.4356578 iter: 19 value: -953.3798 mgc: 155.2288 ustep: 0.06518725 iter: 20 value: -955.0015 mgc: 7.278389 ustep: 0.2553924 iter: 21 value: -957.7378 mgc: 130.6415 ustep: 0.5054131 iter: 22 value: -958.2402 mgc: 85.01457 ustep: 0.1436613 iter: 23 value: -959.327 mgc: 33.27951 ustep: 0.3790889 iter: 24 value: -960.1899 mgc: 210.8127 ustep: 0.3800752 iter: 25 value: -961.0694 mgc: 28.33828 ustep: 0.6165407 iter: 26 value: -961.5897 mgc: 520.0261 ustep: 0.09161564 iter: 27 value: -961.7463 mgc: 3.787635 ustep: 0.1649688 iter: 28 value: -962.1186 mgc: 42.22678 ustep: 0.4062229 iter: 29 value: -962.6511 mgc: 86.19806 ustep: 0.6373925 iter: 30 value: -962.924 mgc: 73.00007 ustep: 0.5509335 iter: 31 value: -963.2461 mgc: 71.19372 ustep: 0.7422747 iter: 32 value: -963.3384 mgc: 98.3996 ustep: 0.3899381 iter: 33 value: -963.4588 mgc: 25.24974 ustep: 0.6244878 iter: 34 value: -963.6202 mgc: 119.4003 ustep: 0.7902664 iter: 35 value: -963.745 mgc: 15.43026 ustep: 0.8889804 iter: 36 value: -963.7974 mgc: 162.3026 ustep: 0.5109612 iter: 37 value: -963.8112 mgc: 1.851981 ustep: 0.4659534 iter: 38 value: -963.8212 mgc: 15.43664 ustep: 0.4366088 iter: 39 value: -963.8405 mgc: 2.470884 ustep: 0.6607977 iter: 40 value: -963.8692 mgc: 5.361241 ustep: 0.8129134 iter: 41 value: -963.9006 mgc: 3.813806 ustep: 0.9016269 iter: 42 value: -963.9035 mgc: 2.532891 ustep: 0.5259237 iter: 43 value: -963.9091 mgc: 0.0756157 ustep: 0.7252334 iter: 44 value: -963.9174 mgc: 0.10328 ustep: 0.8516212 iter: 45 value: -963.9255 mgc: 0.0832624 ustep: 0.922841 iter: 46 value: -963.9272 mgc: 0.03185782 ustep: 0.8015516 iter: 47 value: -963.9279 mgc: 0.005247947 ustep: 0.6763657 iter: 48 value: -963.928 mgc: 0.004835005 ustep: 0.1023465 iter: 49 value: -963.9281 mgc: 0.004812665 ustep: 0.3199843 iter: 50 value: -963.9282 mgc: 0.004722142 ustep: 0.0989741 iter: 51 value: -963.9282 mgc: 0.004701101 ustep: 0.1721362 iter: 52 value: -963.9284 mgc: 0.004661595 ustep: 0.4149515 iter: 53 value: -963.9289 mgc: 0.004530498 ustep: 0.6442029 iter: 54 value: -963.9292 mgc: 0.004218161 ustep: 0.5556948 iter: 55 value: -963.9297 mgc: 0.004012583 ustep: 0.7454748 iter: 56 value: -963.9305 mgc: 0.003581401 ustep: 0.8634225 iter: 57 value: -963.9305 mgc: 0.00283918 ustep: 0.2816898 iter: 58 value: -963.9306 mgc: 0.002793854 ustep: 0.5307915 iter: 59 value: -963.9307 mgc: 0.002668797 ustep: 0.4789737 iter: 60 value: -963.9307 mgc: 0.002570807 ustep: 0.2550431 iter: 61 value: -963.9308 mgc: 0.002534811 ustep: 0.2964559 iter: 62 value: -963.9308 mgc: 0.002491248 ustep: 0.3250773 iter: 63 value: -963.9308 mgc: 0.002442406 ustep: 0.190273 iter: 64 value: -963.9309 mgc: 0.002418801 ustep: 0.4362593 iter: 65 value: -963.9309 mgc: 0.002343427 ustep: 0.4173205 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.002275637 outer mgc: 0.06764535 iter: 1 value: -87.22042 mgc: 22.07734 ustep: 0.0692153 iter: 2 value: -275.0592 mgc: 3385.598 ustep: 0.002381288 iter: 3 value: -389.6314 mgc: 34.47847 ustep: 0.04889356 iter: 4 value: -450.3016 mgc: 817.5021 ustep: 0.03075696 iter: 5 value: -577.6684 mgc: 44.3138 ustep: 0.09194845 iter: 6 value: -626.3761 mgc: 1128.552 ustep: 0.04415613 iter: 7 value: -761.4931 mgc: 20.72556 ustep: 0.2102126 iter: 8 value: -796.3906 mgc: 1907.905 ustep: 0.07379655 iter: 9 value: -863.0369 mgc: 5.324019 ustep: 0.271728 iter: 10 value: -869.1856 mgc: 607.379 ustep: 0.01143812 iter: 11 value: -884.0316 mgc: 3.409616 ustep: 0.1070385 iter: 12 value: -915.3902 mgc: 49.77623 ustep: 0.3272346 iter: 13 value: -918.8066 mgc: 130.8705 ustep: 0.05164717 iter: 14 value: -929.3969 mgc: 12.03875 ustep: 0.2273374 iter: 15 value: -944.1697 mgc: 83.05885 ustep: 0.4768514 iter: 16 value: -945.1154 mgc: 230.5742 ustep: 0.03597378 iter: 17 value: -947.8018 mgc: 3.261857 ustep: 0.1897486 iter: 18 value: -952.8223 mgc: 85.36436 ustep: 0.4356578 iter: 19 value: -953.3834 mgc: 155.2237 ustep: 0.06518725 iter: 20 value: -955.005 mgc: 7.279448 ustep: 0.2553924 iter: 21 value: -957.7414 mgc: 130.6448 ustep: 0.5054131 iter: 22 value: -958.2438 mgc: 85.00746 ustep: 0.1436613 iter: 23 value: -959.3305 mgc: 33.28098 ustep: 0.3790889 iter: 24 value: -960.1935 mgc: 210.8066 ustep: 0.3800752 iter: 25 value: -961.073 mgc: 28.33778 ustep: 0.6165407 iter: 26 value: -961.5933 mgc: 520.0123 ustep: 0.09161564 iter: 27 value: -961.8805 mgc: 3.787569 ustep: 0.3027505 iter: 28 value: -962.3896 mgc: 134.9505 ustep: 0.5502726 iter: 29 value: -962.8821 mgc: 35.06328 ustep: 0.7418295 iter: 30 value: -963.0902 mgc: 280.4189 ustep: 0.3896537 iter: 31 value: -963.2293 mgc: 7.387799 ustep: 0.6242601 iter: 32 value: -963.4137 mgc: 279.7631 ustep: 0.5418217 iter: 33 value: -963.5209 mgc: 2.779803 ustep: 0.7361118 iter: 34 value: -963.6417 mgc: 209.347 ustep: 0.6230873 iter: 35 value: -963.7262 mgc: 0.914179 ustep: 0.7893798 iter: 36 value: -963.8309 mgc: 87.36857 ustep: 0.8884817 iter: 37 value: -963.8997 mgc: 1.64695 ustep: 0.9425988 iter: 38 value: -963.9058 mgc: 34.51056 ustep: 0.5867415 iter: 39 value: -963.9069 mgc: 0.1265151 ustep: 0.3044319 iter: 40 value: -963.9075 mgc: 0.05043698 ustep: 0.1817448 iter: 41 value: -963.9079 mgc: 0.01231049 ustep: 0.1296962 iter: 42 value: -963.9092 mgc: 0.0122331 ustep: 0.3601976 iter: 43 value: -963.9124 mgc: 0.01882032 ustep: 0.6002046 iter: 44 value: -963.9128 mgc: 0.05047041 ustep: 0.1699323 iter: 45 value: -963.9131 mgc: 0.01114681 ustep: 0.1244034 iter: 46 value: -963.9135 mgc: 0.01108103 ustep: 0.1954765 iter: 47 value: -963.915 mgc: 0.01096984 ustep: 0.442183 iter: 48 value: -963.9181 mgc: 0.01062 ustep: 0.665002 iter: 49 value: -963.9189 mgc: 0.02163169 ustep: 0.3445286 iter: 50 value: -963.9192 mgc: 0.009607479 ustep: 0.1983062 iter: 51 value: -963.9203 mgc: 0.009510593 ustep: 0.4453713 iter: 52 value: -963.9204 mgc: 0.009206725 ustep: 0.06645709 iter: 53 value: -963.9208 mgc: 0.00917987 ustep: 0.2578669 iter: 54 value: -963.9209 mgc: 0.009050738 ustep: 0.08478219 iter: 55 value: -963.9214 mgc: 0.009016449 ustep: 0.2912447 iter: 56 value: -963.9227 mgc: 0.008866988 ustep: 0.5397169 iter: 57 value: -963.9237 mgc: 0.008460736 ustep: 0.4848601 iter: 58 value: -963.9239 mgc: 0.008147062 ustep: 0.1383713 iter: 59 value: -963.9244 mgc: 0.008093901 ustep: 0.3720458 iter: 60 value: -963.925 mgc: 0.007902511 ustep: 0.3754583 iter: 61 value: -963.9252 mgc: 0.007713045 ustep: 0.2111167 iter: 62 value: -963.9259 mgc: 0.00762963 ustep: 0.4595284 iter: 63 value: -963.9265 mgc: 0.007373591 ustep: 0.4324336 iter: 64 value: -963.9278 mgc: 0.007151112 ustep: 0.6576311 iter: 65 value: -963.9299 mgc: 0.006630933 ustep: 0.8109635 iter: 66 value: -963.9299 mgc: 0.00564083 ustep: 0.1342631 iter: 67 value: -963.9301 mgc: 0.00560526 ustep: 0.2040416 iter: 68 value: -963.9301 mgc: 0.005547479 ustep: 0.139489 iter: 69 value: -963.9304 mgc: 0.005511241 ustep: 0.3735449 iter: 70 value: -963.9306 mgc: 0.005380975 ustep: 0.3764417 iter: 71 value: -963.9307 mgc: 0.005252129 ustep: 0.2115253 iter: 72 value: -963.931 mgc: 0.005195467 ustep: 0.4599728 iter: 73 value: -963.9313 mgc: 0.005021372 ustep: 0.4327223 iter: 74 value: -963.9318 mgc: 0.004869988 ustep: 0.6578505 iter: 75 value: -963.9319 mgc: 0.004515273 ustep: 0.1879837 iter: 76 value: -963.9319 mgc: 0.004472949 ustep: 0.06857508 iter: 77 value: -963.932 mgc: 0.004459528 ustep: 0.2619423 iter: 78 value: -963.9321 mgc: 0.004395725 ustep: 0.3012938 iter: 79 value: -963.9324 mgc: 0.0043195 ustep: 0.5489475 iter: 80 value: -963.9326 mgc: 0.004114254 ustep: 0.4909674 iter: 81 value: -963.9328 mgc: 0.003957588 ustep: 0.4528904 iter: 82 value: -963.9329 mgc: 0.00382741 ustep: 0.4281215 iter: 83 value: -963.933 mgc: 0.003713087 ustep: 0.2331873 iter: 84 value: -963.9331 mgc: 0.003667203 ustep: 0.4829464 iter: 85 value: -963.9333 mgc: 0.003531335 ustep: 0.4476636 iter: 86 value: -963.9334 mgc: 0.003417136 ustep: 0.424727 iter: 87 value: -963.9334 mgc: 0.003316093 ustep: 0.2317504 iter: 88 value: -963.9334 mgc: 0.003275302 ustep: 0.1513815 iter: 89 value: -963.9335 mgc: 0.003251351 ustep: 0.2184021 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.003214249 outer mgc: 0.03587668 iter: 1 value: -87.07093 mgc: 22.07966 ustep: 0.0692153 iter: 2 value: -274.9618 mgc: 3386.566 ustep: 0.002381288 iter: 3 value: -389.5513 mgc: 34.48167 ustep: 0.04889356 iter: 4 value: -450.2313 mgc: 817.6866 ustep: 0.03075696 iter: 5 value: -577.6166 mgc: 44.32393 ustep: 0.09194845 iter: 6 value: -626.3328 mgc: 1128.884 ustep: 0.04415613 iter: 7 value: -761.4653 mgc: 20.72792 ustep: 0.2102126 iter: 8 value: -796.3711 mgc: 1908.632 ustep: 0.07379655 iter: 9 value: -863.022 mgc: 5.323861 ustep: 0.271728 iter: 10 value: -869.1748 mgc: 607.6597 ustep: 0.01143812 iter: 11 value: -884.0223 mgc: 3.409459 ustep: 0.1070385 iter: 12 value: -915.3833 mgc: 49.77447 ustep: 0.3272346 iter: 13 value: -918.7999 mgc: 130.8939 ustep: 0.05164717 iter: 14 value: -929.3907 mgc: 12.03813 ustep: 0.2273374 iter: 15 value: -944.164 mgc: 83.07048 ustep: 0.4768514 iter: 16 value: -945.1097 mgc: 230.5862 ustep: 0.03597378 iter: 17 value: -947.7962 mgc: 3.259464 ustep: 0.1897486 iter: 18 value: -952.8166 mgc: 85.31729 ustep: 0.4356578 iter: 19 value: -953.3778 mgc: 155.2376 ustep: 0.06518725 iter: 20 value: -954.9994 mgc: 7.275403 ustep: 0.2553924 iter: 21 value: -957.7357 mgc: 130.6316 ustep: 0.5054131 iter: 22 value: -958.2381 mgc: 85.02572 ustep: 0.1436613 iter: 23 value: -959.3249 mgc: 33.27486 ustep: 0.3790889 iter: 24 value: -960.1878 mgc: 210.8172 ustep: 0.3800752 iter: 25 value: -961.0673 mgc: 28.33742 ustep: 0.6165407 iter: 26 value: -961.5876 mgc: 520.0209 ustep: 0.09161564 iter: 27 value: -961.8748 mgc: 3.787467 ustep: 0.3027505 iter: 28 value: -962.3839 mgc: 134.9388 ustep: 0.5502726 iter: 29 value: -962.8765 mgc: 35.07087 ustep: 0.7418295 iter: 30 value: -963.0846 mgc: 280.3927 ustep: 0.3896537 iter: 31 value: -963.2237 mgc: 7.390057 ustep: 0.6242601 iter: 32 value: -963.4081 mgc: 279.7663 ustep: 0.5418217 iter: 33 value: -963.5153 mgc: 2.78107 ustep: 0.7361118 iter: 34 value: -963.6361 mgc: 209.3631 ustep: 0.6230873 iter: 35 value: -963.7207 mgc: 0.9149235 ustep: 0.7893798 iter: 36 value: -963.8253 mgc: 87.38129 ustep: 0.8884817 iter: 37 value: -963.8941 mgc: 1.647591 ustep: 0.9425988 iter: 38 value: -963.8971 mgc: 34.5189 ustep: 0.1981775 iter: 39 value: -963.8981 mgc: 0.03780885 ustep: 0.2551435 iter: 40 value: -963.9008 mgc: 0.0349894 ustep: 0.5051668 iter: 41 value: -963.9018 mgc: 0.09124753 ustep: 0.2665988 iter: 42 value: -963.9043 mgc: 0.01235489 ustep: 0.5163804 iter: 43 value: -963.9092 mgc: 0.03468363 ustep: 0.7186243 iter: 44 value: -963.9096 mgc: 0.0746474 ustep: 0.2095626 iter: 45 value: -963.9111 mgc: 0.01056952 ustep: 0.4578343 iter: 46 value: -963.9122 mgc: 0.01021218 ustep: 0.431333 iter: 47 value: -963.9125 mgc: 0.009901831 ustep: 0.1250869 iter: 48 value: -963.9128 mgc: 0.009843707 ustep: 0.1960779 iter: 49 value: -963.9133 mgc: 0.009745622 ustep: 0.2535583 iter: 50 value: -963.9136 mgc: 0.009611049 ustep: 0.1605857 iter: 51 value: -963.914 mgc: 0.009535897 ustep: 0.2258917 iter: 52 value: -963.9152 mgc: 0.00942272 ustep: 0.4753332 iter: 53 value: -963.9161 mgc: 0.009084654 ustep: 0.4427082 iter: 54 value: -963.9169 mgc: 0.008798015 ustep: 0.4215087 iter: 55 value: -963.917 mgc: 0.008543019 ustep: 0.06335805 iter: 56 value: -963.9172 mgc: 0.008519414 ustep: 0.1349923 iter: 57 value: -963.9175 mgc: 0.008465314 ustep: 0.2046659 iter: 58 value: -963.9183 mgc: 0.008377069 ustep: 0.4524549 iter: 59 value: -963.919 mgc: 0.008103208 ustep: 0.4278387 iter: 60 value: -963.9196 mgc: 0.007862888 ustep: 0.4118503 iter: 61 value: -963.921 mgc: 0.007644193 ustep: 0.6417915 iter: 62 value: -963.9234 mgc: 0.007122999 ustep: 0.8011388 iter: 63 value: -963.9243 mgc: 0.006115819 ustep: 0.6760097 iter: 64 value: -963.9244 mgc: 0.005634757 ustep: 0.1022781 iter: 65 value: -963.9245 mgc: 0.00560861 ustep: 0.1752871 iter: 66 value: -963.9246 mgc: 0.005560385 ustep: 0.2375663 iter: 67 value: -963.9248 mgc: 0.005490979 ustep: 0.2840519 iter: 68 value: -963.925 mgc: 0.005403951 ustep: 0.3166031 iter: 69 value: -963.9254 mgc: 0.005304136 ustep: 0.5627187 iter: 70 value: -963.9255 mgc: 0.005040178 ustep: 0.159121 iter: 71 value: -963.9256 mgc: 0.005001649 ustep: 0.2247098 iter: 72 value: -963.9259 mgc: 0.004943298 ustep: 0.4740882 iter: 73 value: -963.926 mgc: 0.004768019 ustep: 0.2529126 iter: 74 value: -963.9261 mgc: 0.004703059 ustep: 0.2949555 iter: 75 value: -963.9262 mgc: 0.004624083 ustep: 0.3240562 iter: 76 value: -963.9263 mgc: 0.004535256 ustep: 0.1898514 iter: 77 value: -963.9265 mgc: 0.004492234 ustep: 0.4357759 iter: 78 value: -963.927 mgc: 0.004354634 ustep: 0.6601672 iter: 79 value: -963.927 mgc: 0.00403327 ustep: 0.1887525 iter: 80 value: -963.9272 mgc: 0.003995131 ustep: 0.4345131 iter: 81 value: -963.9275 mgc: 0.003872909 ustep: 0.6592102 iter: 82 value: -963.9281 mgc: 0.003587244 ustep: 0.8119364 iter: 83 value: -963.9283 mgc: 0.00304385 ustep: 0.6854239 iter: 84 value: -963.9284 mgc: 0.002791747 ustep: 0.3558502 iter: 85 value: -963.9284 mgc: 0.002729222 ustep: 0.1072338 iter: 86 value: -963.9284 mgc: 0.002715693 ustep: 0.327533 iter: 87 value: -963.9285 mgc: 0.002661891 ustep: 0.3460142 iter: 88 value: -963.9285 mgc: 0.002604672 ustep: 0.1989201 iter: 89 value: -963.9286 mgc: 0.002578084 ustep: 0.44606 iter: 90 value: -963.9286 mgc: 0.002494586 ustep: 0.4236855 iter: 91 value: -963.9286 mgc: 0.002420563 ustep: 0.2313101 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.002390629 outer mgc: 0.0361184 iter: 1 value: -87.14416 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0089 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5894 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2644 mgc: 817.5944 ustep: 0.03075696 iter: 5 value: -577.6405 mgc: 44.31888 ustep: 0.09194845 iter: 6 value: -626.3525 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4776 mgc: 20.72676 ustep: 0.2102126 iter: 8 value: -796.3795 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0286 mgc: 5.323941 ustep: 0.271728 iter: 10 value: -869.1793 mgc: 607.5198 ustep: 0.01143812 iter: 11 value: -884.0262 mgc: 3.409538 ustep: 0.1070385 iter: 12 value: -915.3864 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8029 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3936 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1668 mgc: 83.06465 ustep: 0.4768514 iter: 16 value: -945.1126 mgc: 230.5799 ustep: 0.03597378 iter: 17 value: -947.799 mgc: 3.260663 ustep: 0.1897486 iter: 18 value: -952.8196 mgc: 85.34087 ustep: 0.4356578 iter: 19 value: -953.3807 mgc: 155.2305 ustep: 0.06518725 iter: 20 value: -955.0023 mgc: 7.277449 ustep: 0.2553924 iter: 21 value: -957.7387 mgc: 130.6383 ustep: 0.5054131 iter: 22 value: -958.2411 mgc: 85.01655 ustep: 0.1436613 iter: 23 value: -959.3279 mgc: 33.27797 ustep: 0.3790889 iter: 24 value: -960.1908 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0703 mgc: 28.33764 ustep: 0.6165407 iter: 26 value: -961.5906 mgc: 520.017 ustep: 0.09161564 iter: 27 value: -961.8778 mgc: 3.787522 ustep: 0.3027505 iter: 28 value: -962.3869 mgc: 134.945 ustep: 0.5502726 iter: 29 value: -962.8794 mgc: 35.06703 ustep: 0.7418295 iter: 30 value: -963.0876 mgc: 280.4068 ustep: 0.3896537 iter: 31 value: -963.2266 mgc: 7.388904 ustep: 0.6242601 iter: 32 value: -963.4111 mgc: 279.7657 ustep: 0.5418217 iter: 33 value: -963.5183 mgc: 2.780417 ustep: 0.7361118 iter: 34 value: -963.639 mgc: 209.3558 ustep: 0.6230873 iter: 35 value: -963.7236 mgc: 0.9145346 ustep: 0.7893798 iter: 36 value: -963.8283 mgc: 87.37522 ustep: 0.8884817 iter: 37 value: -963.897 mgc: 1.647258 ustep: 0.9425988 iter: 38 value: -963.9269 mgc: 34.51483 ustep: 0.9708782 iter: 39 value: -963.9293 mgc: 0.4133126 ustep: 0.8788046 iter: 40 value: -963.9293 mgc: 0.6807367 ustep: 0.1589775 iter: 41 value: -963.9294 mgc: 0.004303487 ustep: 0.2245937 iter: 42 value: -963.9295 mgc: 0.004252725 ustep: 0.148334 iter: 43 value: -963.9295 mgc: 0.004222423 ustep: 0.1144879 iter: 44 value: -963.9295 mgc: 0.004200051 ustep: 0.0981087 iter: 45 value: -963.9296 mgc: 0.004181313 ustep: 0.1713043 iter: 46 value: -963.9297 mgc: 0.004146012 ustep: 0.4139478 iter: 47 value: -963.9298 mgc: 0.004028847 ustep: 0.2272026 iter: 48 value: -963.9298 mgc: 0.00398067 ustep: 0.07773778 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.003966905 outer mgc: 0.04342952 iter: 1 value: -87.14721 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0121 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5932 mgc: 34.48006 ustep: 0.04889356 iter: 4 value: -450.2684 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6445 mgc: 44.31885 ustep: 0.09194845 iter: 6 value: -626.3564 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4807 mgc: 20.72672 ustep: 0.2102126 iter: 8 value: -796.3822 mgc: 1908.268 ustep: 0.07379655 iter: 9 value: -863.0303 mgc: 5.323939 ustep: 0.271728 iter: 10 value: -869.1811 mgc: 607.5189 ustep: 0.01143812 iter: 11 value: -884.0277 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3871 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8036 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.394 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1668 mgc: 83.06468 ustep: 0.4768514 iter: 16 value: -945.1126 mgc: 230.5805 ustep: 0.03597378 iter: 17 value: -947.7989 mgc: 3.260658 ustep: 0.1897486 iter: 18 value: -952.8193 mgc: 85.34077 ustep: 0.4356578 iter: 19 value: -953.3805 mgc: 155.2308 ustep: 0.06518725 iter: 20 value: -955.0021 mgc: 7.277401 ustep: 0.2553924 iter: 21 value: -957.7384 mgc: 130.6381 ustep: 0.5054131 iter: 22 value: -958.2408 mgc: 85.01663 ustep: 0.1436613 iter: 23 value: -958.8456 mgc: 33.27786 ustep: 0.2119997 iter: 24 value: -960.0376 mgc: 75.21666 ustep: 0.4604882 iter: 25 value: -960.4922 mgc: 136.727 ustep: 0.2470192 iter: 26 value: -961.2363 mgc: 31.18281 ustep: 0.4970606 iter: 27 value: -961.6274 mgc: 281.7324 ustep: 0.2629972 iter: 28 value: -962.0648 mgc: 9.454003 ustep: 0.5128813 iter: 29 value: -962.3649 mgc: 340.478 ustep: 0.270049 iter: 30 value: -962.5376 mgc: 3.914387 ustep: 0.30694 iter: 31 value: -962.8551 mgc: 69.29503 ustep: 0.5540663 iter: 32 value: -963.2178 mgc: 42.18846 ustep: 0.7443819 iter: 33 value: -963.537 mgc: 119.3129 ustep: 0.8627894 iter: 34 value: -963.7395 mgc: 33.21472 ustep: 0.9288717 iter: 35 value: -963.8245 mgc: 168.0448 ustep: 0.8096127 iter: 36 value: -963.8458 mgc: 6.962604 ustep: 0.8997949 iter: 37 value: -963.8997 mgc: 161.0737 ustep: 0.7731636 iter: 38 value: -963.9061 mgc: 1.04761 ustep: 0.652529 iter: 39 value: -963.9094 mgc: 11.7365 ustep: 0.5615512 iter: 40 value: -963.9115 mgc: 0.7244283 ustep: 0.4993427 iter: 41 value: -963.9155 mgc: 0.362228 ustep: 0.7066712 iter: 42 value: -963.9213 mgc: 0.5102946 ustep: 0.8406533 iter: 43 value: -963.9217 mgc: 0.4688302 ustep: 0.2671338 iter: 44 value: -963.9221 mgc: 0.007809188 ustep: 0.3049143 iter: 45 value: -963.9221 mgc: 0.007671153 ustep: 0.04895679 iter: 46 value: -963.9222 mgc: 0.00765499 ustep: 0.06061698 iter: 47 value: -963.9225 mgc: 0.007634785 ustep: 0.2462805 iter: 48 value: -963.9228 mgc: 0.007533863 ustep: 0.2902647 iter: 49 value: -963.923 mgc: 0.007409683 ustep: 0.175881 iter: 50 value: -963.9236 mgc: 0.007345457 ustep: 0.4194398 iter: 51 value: -963.9237 mgc: 0.007134398 ustep: 0.1222162 iter: 52 value: -963.9238 mgc: 0.007093958 ustep: 0.1935436 iter: 53 value: -963.9244 mgc: 0.007024941 ustep: 0.4399919 iter: 54 value: -963.9256 mgc: 0.006806108 ustep: 0.6633525 iter: 55 value: -963.9263 mgc: 0.008435843 ustep: 0.5692264 iter: 56 value: -963.9265 mgc: 0.005975173 ustep: 0.2960282 iter: 57 value: -963.9265 mgc: 0.005874076 ustep: 0.09349647 iter: 58 value: -963.9268 mgc: 0.005849383 ustep: 0.3058413 iter: 59 value: -963.9273 mgc: 0.005745756 ustep: 0.5530739 iter: 60 value: -963.9277 mgc: 0.005468597 ustep: 0.4937047 iter: 61 value: -963.928 mgc: 0.00525941 ustep: 0.4546757 iter: 62 value: -963.928 mgc: 0.005086925 ustep: 0.1308012 iter: 63 value: -963.9281 mgc: 0.005055976 ustep: 0.1061554 iter: 64 value: -963.9281 mgc: 0.005031664 ustep: 0.09386449 iter: 65 value: -963.9282 mgc: 0.005010545 ustep: 0.1671823 iter: 66 value: -963.9283 mgc: 0.004969936 ustep: 0.2311716 iter: 67 value: -963.9283 mgc: 0.004909821 ustep: 0.1511356 iter: 68 value: -963.9284 mgc: 0.004874471 ustep: 0.1157938 iter: 69 value: -963.9286 mgc: 0.004848603 ustep: 0.3403509 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.004748711 outer mgc: 0.04340788 iter: 1 value: -87.14126 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0061 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5881 mgc: 34.48005 ustep: 0.04889356 iter: 4 value: -450.2636 mgc: 817.5944 ustep: 0.03075696 iter: 5 value: -577.6405 mgc: 44.31895 ustep: 0.09194845 iter: 6 value: -626.3527 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.478 mgc: 20.72684 ustep: 0.2102126 iter: 8 value: -796.3798 mgc: 1908.27 ustep: 0.07379655 iter: 9 value: -863.0289 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1795 mgc: 607.5188 ustep: 0.01143812 iter: 11 value: -884.0264 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3865 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8031 mgc: 130.8823 ustep: 0.05164717 iter: 14 value: -929.3938 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.167 mgc: 83.06473 ustep: 0.4768514 iter: 16 value: -945.1128 mgc: 230.5796 ustep: 0.03597378 iter: 17 value: -947.7992 mgc: 3.260688 ustep: 0.1897486 iter: 18 value: -952.8198 mgc: 85.34068 ustep: 0.4356578 iter: 19 value: -953.3809 mgc: 155.2301 ustep: 0.06518725 iter: 20 value: -955.0026 mgc: 7.277485 ustep: 0.2553924 iter: 21 value: -957.739 mgc: 130.6394 ustep: 0.5054131 iter: 22 value: -958.0344 mgc: 85.01601 ustep: 0.07460683 iter: 23 value: -958.8451 mgc: 12.78639 ustep: 0.2732152 iter: 24 value: -960.2433 mgc: 162.7064 ustep: 0.5227476 iter: 25 value: -960.705 mgc: 60.38383 ustep: 0.2744957 iter: 26 value: -961.4888 mgc: 91.41207 ustep: 0.5239709 iter: 27 value: -961.6749 mgc: 124.8597 ustep: 0.148545 iter: 28 value: -962.0237 mgc: 20.28893 ustep: 0.3854769 iter: 29 value: -962.5672 mgc: 179.2864 ustep: 0.6209058 iter: 30 value: -962.9335 mgc: 30.43962 ustep: 0.7879969 iter: 31 value: -963.1813 mgc: 412.9282 ustep: 0.127672 iter: 32 value: -963.2662 mgc: 3.242234 ustep: 0.3573764 iter: 33 value: -963.4083 mgc: 96.36515 ustep: 0.5978499 iter: 34 value: -963.5679 mgc: 18.89788 ustep: 0.7732302 iter: 35 value: -963.7435 mgc: 133.1412 ustep: 0.8793472 iter: 36 value: -963.8369 mgc: 8.42795 ustep: 0.9377414 iter: 37 value: -963.8913 mgc: 155.6453 ustep: 0.8220797 iter: 38 value: -963.9127 mgc: 1.158901 ustep: 0.9066955 iter: 39 value: -963.9275 mgc: 30.17753 ustep: 0.9522104 iter: 40 value: -963.9276 mgc: 0.3908733 ustep: 0.2074222 iter: 41 value: -963.9277 mgc: 0.03793164 ustep: 0.1409545 iter: 42 value: -963.928 mgc: 0.009174586 ustep: 0.3755016 iter: 43 value: -963.9286 mgc: 0.02953662 ustep: 0.6128205 iter: 44 value: -963.9288 mgc: 0.03358523 ustep: 0.3172922 iter: 45 value: -963.9292 mgc: 0.004921454 ustep: 0.5633306 iter: 46 value: -963.9292 mgc: 0.005769746 ustep: 0.08309072 iter: 47 value: -963.9293 mgc: 0.004656227 ustep: 0.2883258 iter: 48 value: -963.9295 mgc: 0.004579951 ustep: 0.3195315 iter: 49 value: -963.9295 mgc: 0.004493224 ustep: 0.1879832 iter: 50 value: -963.9298 mgc: 0.004450871 ustep: 0.4336269 iter: 51 value: -963.9299 mgc: 0.004315073 ustep: 0.4156107 iter: 52 value: -963.93 mgc: 0.004192502 ustep: 0.2279028 iter: 53 value: -963.9301 mgc: 0.004142237 ustep: 0.2770919 iter: 54 value: -963.9301 mgc: 0.004077972 ustep: 0.170413 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.004043817 outer mgc: 0.1066827 iter: 1 value: -87.15004 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0148 mgc: 3386.081 ustep: 0.002381288 iter: 3 value: -389.5945 mgc: 34.48009 ustep: 0.04889356 iter: 4 value: -450.2691 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6444 mgc: 44.31878 ustep: 0.09194845 iter: 6 value: -626.3562 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4803 mgc: 20.72664 ustep: 0.2102126 iter: 8 value: -796.3818 mgc: 1908.267 ustep: 0.07379655 iter: 9 value: -863.0298 mgc: 5.323939 ustep: 0.271728 iter: 10 value: -869.1808 mgc: 607.5198 ustep: 0.01143812 iter: 11 value: -884.0274 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3869 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8034 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3938 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1665 mgc: 83.0646 ustep: 0.4768514 iter: 16 value: -945.1123 mgc: 230.5808 ustep: 0.03597378 iter: 17 value: -947.7987 mgc: 3.260632 ustep: 0.1897486 iter: 18 value: -952.8191 mgc: 85.34096 ustep: 0.4356578 iter: 19 value: -953.3802 mgc: 155.2312 ustep: 0.06518725 iter: 20 value: -955.0018 mgc: 7.277365 ustep: 0.2553924 iter: 21 value: -957.7381 mgc: 130.637 ustep: 0.5054131 iter: 22 value: -958.2405 mgc: 85.01717 ustep: 0.1436613 iter: 23 value: -959.3272 mgc: 33.27741 ustep: 0.3790889 iter: 24 value: -960.1901 mgc: 210.8118 ustep: 0.3800752 iter: 25 value: -961.0696 mgc: 28.33733 ustep: 0.6165407 iter: 26 value: -961.5899 mgc: 520.0143 ustep: 0.09161564 iter: 27 value: -961.8771 mgc: 3.787485 ustep: 0.3027505 iter: 28 value: -962.3862 mgc: 134.9422 ustep: 0.5502726 iter: 29 value: -962.8787 mgc: 35.06754 ustep: 0.7418295 iter: 30 value: -963.0869 mgc: 280.3973 ustep: 0.3896537 iter: 31 value: -963.2259 mgc: 7.389161 ustep: 0.6242601 iter: 32 value: -963.4104 mgc: 279.7565 ustep: 0.5418217 iter: 33 value: -963.5176 mgc: 2.780628 ustep: 0.7361118 iter: 34 value: -963.6383 mgc: 209.3488 ustep: 0.6230873 iter: 35 value: -963.7229 mgc: 0.9147149 ustep: 0.7893798 iter: 36 value: -963.8276 mgc: 87.37277 ustep: 0.8884817 iter: 37 value: -963.8963 mgc: 1.647387 ustep: 0.9425988 iter: 38 value: -963.9262 mgc: 34.51406 ustep: 0.9708782 iter: 39 value: -963.9313 mgc: 0.4133317 ustep: 0.985333 iter: 40 value: -963.9314 mgc: 1.102178 ustep: 0.7068746 iter: 41 value: -963.9315 mgc: 0.001354375 ustep: 0.8407743 iter: 42 value: -963.9316 mgc: 0.00111185 ustep: 0.9169457 iter: 43 value: -963.9316 mgc: 0.0007618416 ustep: 0.1791213 iter: 44 value: -963.9316 mgc: 0.0007549847 ustep: 0.4232849 iter: 45 value: -963.9316 mgc: 0.0007325897 ustep: 0.4088909 iter: 46 value: -963.9316 mgc: 0.0007120615 ustep: 0.2250765 iter: 47 value: -963.9316 mgc: 0.0007035428 ustep: 0.2750413 iter: 48 value: -963.9316 mgc: 0.000692585 ustep: 0.5244914 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.0006621001 outer mgc: 0.1067469 iter: 1 value: -87.10822 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -274.9885 mgc: 3386.329 ustep: 0.002381288 iter: 3 value: -389.5723 mgc: 34.47927 ustep: 0.04889356 iter: 4 value: -450.2492 mgc: 817.6357 ustep: 0.03075696 iter: 5 value: -577.629 mgc: 44.31902 ustep: 0.09194845 iter: 6 value: -626.343 mgc: 1128.782 ustep: 0.04415613 iter: 7 value: -761.4719 mgc: 20.72612 ustep: 0.2102126 iter: 8 value: -796.3755 mgc: 1908.393 ustep: 0.07379655 iter: 9 value: -863.0262 mgc: 5.32391 ustep: 0.271728 iter: 10 value: -869.1775 mgc: 607.5656 ustep: 0.01143812 iter: 11 value: -884.0247 mgc: 3.409506 ustep: 0.1070385 iter: 12 value: -915.3854 mgc: 49.77488 ustep: 0.3272346 iter: 13 value: -918.8019 mgc: 130.8892 ustep: 0.05164717 iter: 14 value: -929.3927 mgc: 12.03828 ustep: 0.2273374 iter: 15 value: -944.166 mgc: 83.0677 ustep: 0.4768514 iter: 16 value: -945.1117 mgc: 230.5863 ustep: 0.03597378 iter: 17 value: -947.7982 mgc: 3.260385 ustep: 0.1897486 iter: 18 value: -952.8187 mgc: 85.33452 ustep: 0.4356578 iter: 19 value: -953.3798 mgc: 155.2348 ustep: 0.06518725 iter: 20 value: -955.0014 mgc: 7.276777 ustep: 0.2553924 iter: 21 value: -957.7378 mgc: 130.6366 ustep: 0.5054131 iter: 22 value: -958.2402 mgc: 85.02004 ustep: 0.1436613 iter: 23 value: -959.3269 mgc: 33.27686 ustep: 0.3790889 iter: 24 value: -960.1898 mgc: 210.8147 ustep: 0.3800752 iter: 25 value: -961.0693 mgc: 28.3375 ustep: 0.6165407 iter: 26 value: -961.5896 mgc: 520.0185 ustep: 0.09161564 iter: 27 value: -961.8768 mgc: 3.787485 ustep: 0.3027505 iter: 28 value: -962.3859 mgc: 134.9418 ustep: 0.5502726 iter: 29 value: -962.8785 mgc: 35.0686 ustep: 0.7418295 iter: 30 value: -963.0866 mgc: 280.3984 ustep: 0.3896537 iter: 31 value: -963.2257 mgc: 7.389388 ustep: 0.6242601 iter: 32 value: -963.4101 mgc: 279.7622 ustep: 0.5418217 iter: 33 value: -963.5173 mgc: 2.78073 ustep: 0.7361118 iter: 34 value: -963.638 mgc: 209.3543 ustep: 0.6230873 iter: 35 value: -963.6776 mgc: 0.9147694 ustep: 0.5410122 iter: 36 value: -963.7046 mgc: 31.02974 ustep: 0.4857158 iter: 37 value: -963.7519 mgc: 3.103453 ustep: 0.6969635 iter: 38 value: -963.816 mgc: 14.13522 ustep: 0.8348599 iter: 39 value: -963.8386 mgc: 6.722662 ustep: 0.7061868 iter: 40 value: -963.8712 mgc: 2.643421 ustep: 0.8403652 iter: 41 value: -963.9044 mgc: 2.364216 ustep: 0.9167227 iter: 42 value: -963.9246 mgc: 0.914726 ustep: 0.9574606 iter: 43 value: -963.9248 mgc: 0.1829873 ustep: 0.2132261 iter: 44 value: -963.9248 mgc: 0.0062975 ustep: 0.07449828 iter: 45 value: -963.925 mgc: 0.006276758 ustep: 0.2730164 iter: 46 value: -963.9253 mgc: 0.00618149 ustep: 0.3089969 iter: 47 value: -963.9259 mgc: 0.006070137 ustep: 0.5559194 iter: 48 value: -963.9271 mgc: 0.0057738 ustep: 0.7456254 iter: 49 value: -963.9273 mgc: 0.005154362 ustep: 0.3920883 iter: 50 value: -963.9275 mgc: 0.005021565 ustep: 0.3885749 iter: 51 value: -963.9277 mgc: 0.004894022 ustep: 0.3862802 iter: 52 value: -963.9279 mgc: 0.004770862 ustep: 0.3847805 iter: 53 value: -963.928 mgc: 0.004651515 ustep: 0.2149944 iter: 54 value: -963.9281 mgc: 0.004599828 ustep: 0.2676676 iter: 55 value: -963.9281 mgc: 0.004532008 ustep: 0.08702254 iter: 56 value: -963.9282 mgc: 0.004514506 ustep: 0.1603807 iter: 57 value: -963.9282 mgc: 0.004479693 ustep: 0.1200599 iter: 58 value: -963.9284 mgc: 0.004454958 ustep: 0.3465619 iter: 59 value: -963.9287 mgc: 0.004360773 ustep: 0.5887362 iter: 60 value: -963.9288 mgc: 0.004120118 ustep: 0.3054003 iter: 61 value: -963.9289 mgc: 0.004047461 ustep: 0.3311433 iter: 62 value: -963.929 mgc: 0.003967215 ustep: 0.3484231 iter: 63 value: -963.9291 mgc: 0.003882334 ustep: 0.3598974 iter: 64 value: -963.9293 mgc: 0.003795024 ustep: 0.3674718 iter: 65 value: -963.9295 mgc: 0.003706837 ustep: 0.6062339 iter: 66 value: -963.93 mgc: 0.003486585 ustep: 0.7786324 iter: 67 value: -963.9301 mgc: 0.003045337 ustep: 0.4143179 iter: 68 value: -963.9301 mgc: 0.002959033 ustep: 0.2273584 iter: 69 value: -963.9301 mgc: 0.002923551 ustep: 0.2766975 iter: 70 value: -963.9303 mgc: 0.00287812 ustep: 0.5260678 iter: 71 value: -963.9303 mgc: 0.002751912 ustep: 0.1491038 iter: 72 value: -963.9303 mgc: 0.002732127 ustep: 0.386201 iter: 73 value: -963.9305 mgc: 0.002662838 ustep: 0.6214885 iter: 74 value: -963.9305 mgc: 0.00249324 ustep: 0.3216683 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.002445178 outer mgc: 0.0771126 iter: 1 value: -87.18309 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0324 mgc: 3385.834 ustep: 0.002381288 iter: 3 value: -389.6104 mgc: 34.48086 ustep: 0.04889356 iter: 4 value: -450.2836 mgc: 817.553 ustep: 0.03075696 iter: 5 value: -577.6559 mgc: 44.31871 ustep: 0.09194845 iter: 6 value: -626.366 mgc: 1128.654 ustep: 0.04415613 iter: 7 value: -761.4864 mgc: 20.72736 ustep: 0.2102126 iter: 8 value: -796.3861 mgc: 1908.145 ustep: 0.07379655 iter: 9 value: -863.0326 mgc: 5.32397 ustep: 0.271728 iter: 10 value: -869.1829 mgc: 607.473 ustep: 0.01143812 iter: 11 value: -884.0292 mgc: 3.409569 ustep: 0.1070385 iter: 12 value: -915.388 mgc: 49.77582 ustep: 0.3272346 iter: 13 value: -918.8045 mgc: 130.8753 ustep: 0.05164717 iter: 14 value: -929.3948 mgc: 12.03859 ustep: 0.2273374 iter: 15 value: -944.1676 mgc: 83.06163 ustep: 0.4768514 iter: 16 value: -945.1134 mgc: 230.5741 ustep: 0.03597378 iter: 17 value: -947.7997 mgc: 3.260936 ustep: 0.1897486 iter: 18 value: -952.8202 mgc: 85.34713 ustep: 0.4356578 iter: 19 value: -953.3813 mgc: 155.2265 ustep: 0.06518725 iter: 20 value: -955.0029 mgc: 7.278073 ustep: 0.2553924 iter: 21 value: -957.7393 mgc: 130.6398 ustep: 0.5054131 iter: 22 value: -958.2417 mgc: 85.01314 ustep: 0.1436613 iter: 23 value: -959.3284 mgc: 33.27898 ustep: 0.3790889 iter: 24 value: -960.1914 mgc: 210.809 ustep: 0.3800752 iter: 25 value: -961.0709 mgc: 28.33771 ustep: 0.6165407 iter: 26 value: -961.5912 mgc: 520.0148 ustep: 0.09161564 iter: 27 value: -961.8784 mgc: 3.78755 ustep: 0.3027505 iter: 28 value: -962.3875 mgc: 134.9475 ustep: 0.5502726 iter: 29 value: -962.8801 mgc: 35.06555 ustep: 0.7418295 iter: 30 value: -963.0882 mgc: 280.4132 ustep: 0.3896537 iter: 31 value: -963.2273 mgc: 7.388467 ustep: 0.6242601 iter: 32 value: -963.4117 mgc: 279.7672 ustep: 0.5418217 iter: 33 value: -963.5189 mgc: 2.780143 ustep: 0.7361118 iter: 34 value: -963.6397 mgc: 209.3557 ustep: 0.6230873 iter: 35 value: -963.7243 mgc: 0.9143329 ustep: 0.7893798 iter: 36 value: -963.7511 mgc: 87.3749 ustep: 0.4220216 iter: 37 value: -963.7817 mgc: 0.4816511 ustep: 0.6496669 iter: 38 value: -963.828 mgc: 7.461222 ustep: 0.8060386 iter: 39 value: -963.8797 mgc: 4.516835 ustep: 0.8978067 iter: 40 value: -963.8818 mgc: 3.880456 ustep: 0.3080632 iter: 41 value: -963.8872 mgc: 0.04458011 ustep: 0.5550789 iter: 42 value: -963.8879 mgc: 0.1009569 ustep: 0.1569915 iter: 43 value: -963.8905 mgc: 0.01560527 ustep: 0.3962819 iter: 44 value: -963.8916 mgc: 0.01518243 ustep: 0.2197933 iter: 45 value: -963.8922 mgc: 0.01500356 ustep: 0.1462812 iter: 46 value: -963.8932 mgc: 0.01489571 ustep: 0.2141853 iter: 47 value: -963.8945 mgc: 0.01472648 ustep: 0.2670718 iter: 48 value: -963.8959 mgc: 0.0145043 ustep: 0.3048711 iter: 49 value: -963.8967 mgc: 0.01424254 ustep: 0.1819264 iter: 50 value: -963.8977 mgc: 0.01411125 ustep: 0.2427345 iter: 51 value: -963.8989 mgc: 0.01392489 ustep: 0.2877435 iter: 52 value: -963.9003 mgc: 0.01369448 ustep: 0.319133 iter: 53 value: -963.9038 mgc: 0.01343294 ustep: 0.5649621 iter: 54 value: -963.9062 mgc: 0.012749 ustep: 0.5016171 iter: 55 value: -963.9066 mgc: 0.01224185 ustep: 0.1426752 iter: 56 value: -963.9069 mgc: 0.01215862 ustep: 0.1118297 iter: 57 value: -963.9075 mgc: 0.01209599 ustep: 0.1841851 iter: 58 value: -963.9091 mgc: 0.01198482 ustep: 0.429225 iter: 59 value: -963.9105 mgc: 0.01162633 ustep: 0.412751 iter: 60 value: -963.9106 mgc: 0.01130118 ustep: 0.06223721 iter: 61 value: -963.9109 mgc: 0.01127056 ustep: 0.1337008 iter: 62 value: -963.9114 mgc: 0.01119984 ustep: 0.2035593 iter: 63 value: -963.9117 mgc: 0.011084 ustep: 0.1392795 iter: 64 value: -963.9128 mgc: 0.01101116 ustep: 0.3732644 iter: 65 value: -963.9139 mgc: 0.01074971 ustep: 0.3762578 iter: 66 value: -963.9163 mgc: 0.01049149 ustep: 0.6134372 iter: 67 value: -963.9166 mgc: 0.009854345 ustep: 0.1739086 iter: 68 value: -963.917 mgc: 0.009770554 ustep: 0.2364855 iter: 69 value: -963.9173 mgc: 0.009648839 ustep: 0.1533899 iter: 70 value: -963.9177 mgc: 0.009578171 ustep: 0.2200492 iter: 71 value: -963.9178 mgc: 0.009469397 ustep: 0.07608265 iter: 72 value: -963.9183 mgc: 0.009437755 ustep: 0.2759033 iter: 73 value: -963.9186 mgc: 0.009293611 ustep: 0.1699186 iter: 74 value: -963.9194 mgc: 0.009216819 ustep: 0.4122707 iter: 75 value: -963.9194 mgc: 0.008961018 ustep: 0.03158369 iter: 76 value: -963.9197 mgc: 0.00894914 ustep: 0.1778002 iter: 77 value: -963.9199 mgc: 0.008871076 ustep: 0.1279378 iter: 78 value: -963.92 mgc: 0.008818432 ustep: 0.1047655 iter: 79 value: -963.9203 mgc: 0.008776638 ustep: 0.1776335 iter: 80 value: -963.9203 mgc: 0.00870017 ustep: 0.0336172 iter: 81 value: -963.9205 mgc: 0.008687872 ustep: 0.1834316 iter: 82 value: -963.9213 mgc: 0.008609179 ustep: 0.4283463 iter: 83 value: -963.9216 mgc: 0.008354434 ustep: 0.2332826 iter: 84 value: -963.922 mgc: 0.008252254 ustep: 0.2809761 iter: 85 value: -963.9225 mgc: 0.008123063 ustep: 0.3144897 iter: 86 value: -963.9236 mgc: 0.007974153 ustep: 0.5608377 iter: 87 value: -963.9256 mgc: 0.007579908 ustep: 0.7489161 iter: 88 value: -963.9258 mgc: 0.006759235 ustep: 0.2216576 iter: 89 value: -963.9259 mgc: 0.006682243 ustep: 0.07645531 iter: 90 value: -963.926 mgc: 0.006659933 ustep: 0.1494428 iter: 91 value: -963.926 mgc: 0.006612904 ustep: 0.1150055 iter: 92 value: -963.9261 mgc: 0.006578294 ustep: 0.0504525 iter: 93 value: -963.9262 mgc: 0.006564173 ustep: 0.1194734 iter: 94 value: -963.9263 mgc: 0.0065283 ustep: 0.1911018 iter: 95 value: -963.9265 mgc: 0.006466407 ustep: 0.2497805 iter: 96 value: -963.927 mgc: 0.006380295 ustep: 0.4998305 iter: 97 value: -963.9281 mgc: 0.006131518 ustep: 0.7070162 iter: 98 value: -963.9282 mgc: 0.005582644 ustep: 0.2051903 iter: 99 value: -963.9284 mgc: 0.005524513 ustep: 0.2604025 iter: 100 value: -963.9288 mgc: 0.005446312 ustep: 0.5103454 iter: 101 value: -963.9289 mgc: 0.005223935 ustep: 0.2689124 iter: 102 value: -963.9291 mgc: 0.005146575 ustep: 0.3061508 iter: 103 value: -963.9295 mgc: 0.005055361 ustep: 0.5533536 iter: 104 value: -963.9302 mgc: 0.0048112 ustep: 0.743903 iter: 105 value: -963.9303 mgc: 0.004297982 ustep: 0.1165752 iter: 106 value: -963.9303 mgc: 0.00427479 ustep: 0.1884991 iter: 107 value: -963.9305 mgc: 0.004234337 ustep: 0.4342214 iter: 108 value: -963.9309 mgc: 0.004104647 ustep: 0.6589889 iter: 109 value: -963.931 mgc: 0.003801524 ustep: 0.3412727 iter: 110 value: -963.931 mgc: 0.00372191 ustep: 0.196961 iter: 111 value: -963.9312 mgc: 0.003684585 ustep: 0.4438585 iter: 112 value: -963.9315 mgc: 0.003566901 ustep: 0.6662604 iter: 113 value: -963.9315 mgc: 0.003294434 ustep: 0.1004304 iter: 114 value: -963.9315 mgc: 0.003279265 ustep: 0.09088692 iter: 115 value: -963.9315 mgc: 0.003265736 ustep: 0.3015444 iter: 116 value: -963.9316 mgc: 0.00320831 ustep: 0.0947562 iter: 117 value: -963.9316 mgc: 0.003194446 ustep: 0.08788059 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.003181734 outer mgc: 0.07690457 iter: 1 value: -87.22313 mgc: 22.07784 ustep: 0.0692153 iter: 2 value: -275.0648 mgc: 3385.653 ustep: 0.002381288 iter: 3 value: -389.6373 mgc: 34.47984 ustep: 0.04889356 iter: 4 value: -450.3078 mgc: 817.5177 ustep: 0.03075696 iter: 5 value: -577.6744 mgc: 44.31609 ustep: 0.09194845 iter: 6 value: -626.3822 mgc: 1128.589 ustep: 0.04415613 iter: 7 value: -761.4973 mgc: 20.72641 ustep: 0.2102126 iter: 8 value: -796.3951 mgc: 1908.006 ustep: 0.07379655 iter: 9 value: -863.0388 mgc: 5.324004 ustep: 0.271728 iter: 10 value: -869.1887 mgc: 607.4261 ustep: 0.01143812 iter: 11 value: -884.0343 mgc: 3.409602 ustep: 0.1070385 iter: 12 value: -915.3917 mgc: 49.77613 ustep: 0.3272346 iter: 13 value: -918.808 mgc: 130.8694 ustep: 0.05164717 iter: 14 value: -929.3977 mgc: 12.0387 ustep: 0.2273374 iter: 15 value: -944.1697 mgc: 83.05726 ustep: 0.4768514 iter: 16 value: -945.1154 mgc: 230.5703 ustep: 0.03597378 iter: 17 value: -947.8016 mgc: 3.261166 ustep: 0.1897486 iter: 18 value: -952.8218 mgc: 85.35021 ustep: 0.4356578 iter: 19 value: -953.3829 mgc: 155.2246 ustep: 0.06518725 iter: 20 value: -955.0044 mgc: 7.278097 ustep: 0.2553924 iter: 21 value: -957.7407 mgc: 130.6368 ustep: 0.5054131 iter: 22 value: -958.243 mgc: 85.01213 ustep: 0.1436613 iter: 23 value: -958.8478 mgc: 33.27797 ustep: 0.2119997 iter: 24 value: -960.0397 mgc: 75.21438 ustep: 0.4604882 iter: 25 value: -960.4943 mgc: 136.7228 ustep: 0.2470192 iter: 26 value: -961.2384 mgc: 31.18169 ustep: 0.4970606 iter: 27 value: -961.6294 mgc: 281.7224 ustep: 0.2629972 iter: 28 value: -962.0668 mgc: 9.453582 ustep: 0.5128813 iter: 29 value: -962.3669 mgc: 340.4618 ustep: 0.270049 iter: 30 value: -962.6716 mgc: 3.914219 ustep: 0.5197105 iter: 31 value: -963.0858 mgc: 222.6271 ustep: 0.7209374 iter: 32 value: -963.2099 mgc: 82.75122 ustep: 0.3766441 iter: 33 value: -963.3691 mgc: 89.26425 ustep: 0.613752 iter: 34 value: -963.544 mgc: 17.91071 ustep: 0.7834449 iter: 35 value: -963.7367 mgc: 141.6842 ustep: 0.8851357 iter: 36 value: -963.8292 mgc: 6.927848 ustep: 0.9408224 iter: 37 value: -963.8929 mgc: 168.3214 ustep: 0.8266055 iter: 38 value: -963.9143 mgc: 3.005157 ustep: 0.9091876 iter: 39 value: -963.9291 mgc: 30.42579 ustep: 0.9535179 iter: 40 value: -963.9294 mgc: 0.2888835 ustep: 0.374052 iter: 41 value: -963.9294 mgc: 0.06715411 ustep: 0.111469 iter: 42 value: -963.9295 mgc: 0.005258741 ustep: 0.09658258 iter: 43 value: -963.9296 mgc: 0.005235673 ustep: 0.1698302 iter: 44 value: -963.9298 mgc: 0.005191912 ustep: 0.4121634 iter: 45 value: -963.9301 mgc: 0.008984915 ustep: 0.4016583 iter: 46 value: -963.9306 mgc: 0.004910587 ustep: 0.6338018 iter: 47 value: -963.931 mgc: 0.009106375 ustep: 0.5484334 iter: 48 value: -963.9316 mgc: 0.004366265 ustep: 0.7405888 iter: 49 value: -963.9316 mgc: 0.005538639 ustep: 0.1158084 iter: 50 value: -963.9317 mgc: 0.003886428 ustep: 0.1878065 iter: 51 value: -963.9318 mgc: 0.003849804 ustep: 0.4334231 iter: 52 value: -963.9319 mgc: 0.003732543 ustep: 0.2354363 iter: 53 value: -963.932 mgc: 0.003686214 ustep: 0.2825243 iter: 54 value: -963.9322 mgc: 0.003627877 ustep: 0.531577 iter: 55 value: -963.9322 mgc: 0.003466983 ustep: 0.1505787 iter: 56 value: -963.9323 mgc: 0.003442024 ustep: 0.388106 iter: 57 value: -963.9323 mgc: 0.003354913 ustep: 0.2163801 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.0033174 outer mgc: 0.03698766 iter: 1 value: -87.06822 mgc: 22.07916 ustep: 0.0692153 iter: 2 value: -274.9562 mgc: 3386.511 ustep: 0.002381288 iter: 3 value: -389.5453 mgc: 34.48029 ustep: 0.04889356 iter: 4 value: -450.2251 mgc: 817.671 ustep: 0.03075696 iter: 5 value: -577.6105 mgc: 44.32164 ustep: 0.09194845 iter: 6 value: -626.3267 mgc: 1128.847 ustep: 0.04415613 iter: 7 value: -761.461 mgc: 20.72707 ustep: 0.2102126 iter: 8 value: -796.3666 mgc: 1908.531 ustep: 0.07379655 iter: 9 value: -863.02 mgc: 5.323876 ustep: 0.271728 iter: 10 value: -869.1717 mgc: 607.6126 ustep: 0.01143812 iter: 11 value: -884.0196 mgc: 3.409472 ustep: 0.1070385 iter: 12 value: -915.3818 mgc: 49.77456 ustep: 0.3272346 iter: 13 value: -918.7985 mgc: 130.8951 ustep: 0.05164717 iter: 14 value: -929.3899 mgc: 12.03818 ustep: 0.2273374 iter: 15 value: -944.1639 mgc: 83.07207 ustep: 0.4768514 iter: 16 value: -945.1097 mgc: 230.59 ustep: 0.03597378 iter: 17 value: -947.7963 mgc: 3.260155 ustep: 0.1897486 iter: 18 value: -952.8171 mgc: 85.33143 ustep: 0.4356578 iter: 19 value: -953.3782 mgc: 155.2368 ustep: 0.06518725 iter: 20 value: -955 mgc: 7.276753 ustep: 0.2553924 iter: 21 value: -957.7365 mgc: 130.6396 ustep: 0.5054131 iter: 22 value: -958.2389 mgc: 85.02105 ustep: 0.1436613 iter: 23 value: -959.3257 mgc: 33.27786 ustep: 0.3790889 iter: 24 value: -960.1887 mgc: 210.8201 ustep: 0.3800752 iter: 25 value: -961.0682 mgc: 28.33818 ustep: 0.6165407 iter: 26 value: -961.5885 mgc: 520.0407 ustep: 0.09161564 iter: 27 value: -961.8758 mgc: 3.787602 ustep: 0.3027505 iter: 28 value: -962.3849 mgc: 134.9499 ustep: 0.5502726 iter: 29 value: -962.8775 mgc: 35.06837 ustep: 0.7418295 iter: 30 value: -963.0856 mgc: 280.4224 ustep: 0.3896537 iter: 31 value: -963.2247 mgc: 7.389102 ustep: 0.6242601 iter: 32 value: -963.4091 mgc: 279.7883 ustep: 0.5418217 iter: 33 value: -963.5163 mgc: 2.78044 ustep: 0.7361118 iter: 34 value: -963.6371 mgc: 209.3775 ustep: 0.6230873 iter: 35 value: -963.7216 mgc: 0.9144411 ustep: 0.7893798 iter: 36 value: -963.8263 mgc: 87.38646 ustep: 0.8884817 iter: 37 value: -963.8527 mgc: 1.647168 ustep: 0.7603385 iter: 38 value: -963.8856 mgc: 16.35925 ustep: 0.8719867 iter: 39 value: -963.9136 mgc: 2.072941 ustep: 0.9338089 iter: 40 value: -963.9272 mgc: 2.424626 ustep: 0.9663412 iter: 41 value: -963.9273 mgc: 0.2020714 ustep: 0.2247526 iter: 42 value: -963.9275 mgc: 0.004433532 ustep: 0.4741334 iter: 43 value: -963.9276 mgc: 0.004275006 ustep: 0.2529323 iter: 44 value: -963.9276 mgc: 0.004216301 ustep: 0.160323 iter: 45 value: -963.9277 mgc: 0.004183453 ustep: 0.1200334 iter: 46 value: -963.9278 mgc: 0.004160118 ustep: 0.3465238 iter: 47 value: -963.9279 mgc: 0.004071342 ustep: 0.3586404 iter: 48 value: -963.928 mgc: 0.003979829 ustep: 0.3666435 iter: 49 value: -963.9283 mgc: 0.003887289 ustep: 0.6055504 iter: 50 value: -963.9284 mgc: 0.00365636 ustep: 0.3136623 iter: 51 value: -963.9285 mgc: 0.003589022 ustep: 0.3367164 iter: 52 value: -963.9286 mgc: 0.003516164 ustep: 0.3521336 iter: 53 value: -963.9287 mgc: 0.003439796 ustep: 0.3623503 iter: 54 value: -963.9289 mgc: 0.003361708 ustep: 0.6019952 iter: 55 value: -963.929 mgc: 0.003165614 ustep: 0.3119002 iter: 56 value: -963.9291 mgc: 0.003107886 ustep: 0.5585244 iter: 57 value: -963.9291 mgc: 0.002954475 ustep: 0.157949 iter: 58 value: -963.9292 mgc: 0.002931897 ustep: 0.3974883 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.002854522 outer mgc: 0.03721 iter: 1 value: -86.83011 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -274.8781 mgc: 3387.599 ustep: 0.002381288 iter: 3 value: -389.4597 mgc: 34.49877 ustep: 0.04889356 iter: 4 value: -450.1359 mgc: 817.9024 ustep: 0.03075696 iter: 5 value: -577.5117 mgc: 44.34907 ustep: 0.09194845 iter: 6 value: -626.2248 mgc: 1129.357 ustep: 0.04415613 iter: 7 value: -761.3431 mgc: 20.7435 ustep: 0.2102126 iter: 8 value: -796.251 mgc: 1910.061 ustep: 0.07379655 iter: 9 value: -862.8842 mgc: 5.323843 ustep: 0.271728 iter: 10 value: -869.0512 mgc: 608.6149 ustep: 0.01143812 iter: 11 value: -883.8978 mgc: 3.409494 ustep: 0.1070385 iter: 12 value: -915.2563 mgc: 49.90933 ustep: 0.3272346 iter: 13 value: -918.6725 mgc: 130.9966 ustep: 0.05164717 iter: 14 value: -929.2618 mgc: 12.0866 ustep: 0.2273374 iter: 15 value: -944.0331 mgc: 83.1692 ustep: 0.4768514 iter: 16 value: -944.9789 mgc: 230.5559 ustep: 0.03597378 iter: 17 value: -947.6649 mgc: 3.261364 ustep: 0.1897486 iter: 18 value: -952.6845 mgc: 85.3885 ustep: 0.4356578 iter: 19 value: -953.2455 mgc: 155.2822 ustep: 0.06518725 iter: 20 value: -954.8668 mgc: 7.281231 ustep: 0.2553924 iter: 21 value: -957.6025 mgc: 130.3995 ustep: 0.5054131 iter: 22 value: -958.1047 mgc: 85.11531 ustep: 0.1436613 iter: 23 value: -959.1911 mgc: 33.19733 ustep: 0.3790889 iter: 24 value: -960.0537 mgc: 210.8168 ustep: 0.3800752 iter: 25 value: -960.9327 mgc: 28.3064 ustep: 0.6165407 iter: 26 value: -961.4531 mgc: 520.1275 ustep: 0.09161564 iter: 27 value: -961.7402 mgc: 3.78434 ustep: 0.3027505 iter: 28 value: -962.2492 mgc: 134.8393 ustep: 0.5502726 iter: 29 value: -962.7419 mgc: 35.10405 ustep: 0.7418295 iter: 30 value: -962.9499 mgc: 280.2435 ustep: 0.3896537 iter: 31 value: -963.089 mgc: 7.401244 ustep: 0.6242601 iter: 32 value: -963.2735 mgc: 279.8935 ustep: 0.5418217 iter: 33 value: -963.3807 mgc: 2.785147 ustep: 0.7361118 iter: 34 value: -963.5016 mgc: 209.6592 ustep: 0.6230873 iter: 35 value: -963.5862 mgc: 0.912603 ustep: 0.7893798 iter: 36 value: -963.691 mgc: 87.61231 ustep: 0.8884817 iter: 37 value: -963.7019 mgc: 1.643857 ustep: 0.5103966 iter: 38 value: -963.7024 mgc: 7.065142 ustep: 0.03838812 iter: 39 value: -963.7047 mgc: 0.02447965 ustep: 0.1960093 iter: 40 value: -963.7076 mgc: 0.2247678 ustep: 0.2535063 iter: 41 value: -963.7093 mgc: 0.2214237 ustep: 0.1605639 iter: 42 value: -963.7146 mgc: 0.05154115 ustep: 0.4007642 iter: 43 value: -963.7168 mgc: 0.2868424 ustep: 0.2216685 iter: 44 value: -963.7169 mgc: 0.04033377 ustep: 0.01968435 iter: 45 value: -963.7181 mgc: 0.02183464 ustep: 0.1403869 iter: 46 value: -963.7183 mgc: 0.02160413 ustep: 0.02891114 iter: 47 value: -963.7198 mgc: 0.02156221 ustep: 0.1701158 iter: 48 value: -963.7208 mgc: 0.02127841 ustep: 0.1244863 iter: 49 value: -963.7245 mgc: 0.02108383 ustep: 0.3528908 iter: 50 value: -963.7253 mgc: 0.06877727 ustep: 0.1065484 iter: 51 value: -963.7267 mgc: 0.02021442 ustep: 0.1793024 iter: 52 value: -963.7312 mgc: 0.01993574 ustep: 0.4234988 iter: 53 value: -963.7351 mgc: 0.07709378 ustep: 0.40903 iter: 54 value: -963.7438 mgc: 0.05227282 ustep: 0.6395906 iter: 55 value: -963.7442 mgc: 0.1851196 ustep: 0.09558476 iter: 56 value: -963.7447 mgc: 0.01649472 ustep: 0.08832321 iter: 57 value: -963.7456 mgc: 0.01642695 ustep: 0.1616894 iter: 58 value: -963.7469 mgc: 0.01629338 ustep: 0.2267801 iter: 59 value: -963.7476 mgc: 0.01609333 ustep: 0.1492667 iter: 60 value: -963.7488 mgc: 0.01597474 ustep: 0.2166596 iter: 61 value: -963.7503 mgc: 0.01579039 ustep: 0.2688921 iter: 62 value: -963.7543 mgc: 0.01554974 ustep: 0.5185962 iter: 63 value: -963.7574 mgc: 0.02640044 ustep: 0.4709578 iter: 64 value: -963.7579 mgc: 0.0143492 ustep: 0.1348573 iter: 65 value: -963.7581 mgc: 0.01425692 ustep: 0.05559482 iter: 66 value: -963.7586 mgc: 0.01422217 ustep: 0.1258375 iter: 67 value: -963.759 mgc: 0.01413777 ustep: 0.1037403 iter: 68 value: -963.7593 mgc: 0.01407026 ustep: 0.09261486 iter: 69 value: -963.7607 mgc: 0.01401102 ustep: 0.3043965 iter: 70 value: -963.7621 mgc: 0.01376208 ustep: 0.3304643 iter: 71 value: -963.7625 mgc: 0.01348749 ustep: 0.1013783 iter: 72 value: -963.7631 mgc: 0.01342505 ustep: 0.1744329 iter: 73 value: -963.764 mgc: 0.01330922 ustep: 0.2368969 iter: 74 value: -963.7642 mgc: 0.01314138 ustep: 0.07997249 iter: 75 value: -963.7647 mgc: 0.01309457 ustep: 0.1531469 iter: 76 value: -963.7654 mgc: 0.01299796 ustep: 0.2198503 iter: 77 value: -963.7676 mgc: 0.01284929 ustep: 0.4689351 iter: 78 value: -963.7695 mgc: 0.01240081 ustep: 0.4385471 iter: 79 value: -963.771 mgc: 0.01201709 ustep: 0.4188064 iter: 80 value: -963.7716 mgc: 0.01167369 ustep: 0.2292498 iter: 81 value: -963.7724 mgc: 0.01153373 ustep: 0.2780667 iter: 82 value: -963.7745 mgc: 0.01135541 ustep: 0.5273676 iter: 83 value: -963.7786 mgc: 0.01086193 ustep: 0.7262282 iter: 84 value: -963.7846 mgc: 0.009804367 ustep: 0.852205 iter: 85 value: -963.7867 mgc: 0.00794049 ustep: 0.7227223 iter: 86 value: -963.7869 mgc: 0.007177939 ustep: 0.2111388 iter: 87 value: -963.787 mgc: 0.007100469 ustep: 0.1425606 iter: 88 value: -963.7874 mgc: 0.007052665 ustep: 0.3776342 iter: 89 value: -963.7874 mgc: 0.006882492 ustep: 0.05781955 iter: 90 value: -963.7877 mgc: 0.006865472 ustep: 0.2405329 iter: 91 value: -963.7878 mgc: 0.006778697 ustep: 0.1551019 iter: 92 value: -963.788 mgc: 0.006728755 ustep: 0.2214475 iter: 93 value: -963.7882 mgc: 0.006652218 ustep: 0.272398 iter: 94 value: -963.7883 mgc: 0.006552921 ustep: 0.1684597 iter: 95 value: -963.7887 mgc: 0.006499607 ustep: 0.4104973 iter: 96 value: -963.7891 mgc: 0.006321182 ustep: 0.4005741 iter: 97 value: -963.7894 mgc: 0.006154295 ustep: 0.3941107 iter: 98 value: -963.7902 mgc: 0.00599587 ustep: 0.6278196 iter: 99 value: -963.7904 mgc: 0.005610469 ustep: 0.3248992 iter: 100 value: -963.7906 mgc: 0.00550255 ustep: 0.344254 iter: 101 value: -963.7906 mgc: 0.005387203 ustep: 0.1045526 iter: 102 value: -963.7907 mgc: 0.005361666 ustep: 0.09303621 iter: 103 value: -963.7908 mgc: 0.00533932 ustep: 0.3050879 iter: 104 value: -963.7913 mgc: 0.005245305 ustep: 0.5523924 iter: 105 value: -963.7914 mgc: 0.004993289 ustep: 0.288109 iter: 106 value: -963.7918 mgc: 0.004911942 ustep: 0.5368042 iter: 107 value: -963.792 mgc: 0.004689209 ustep: 0.4829372 iter: 108 value: -963.7921 mgc: 0.00451611 ustep: 0.2567769 iter: 109 value: -963.7924 mgc: 0.004452946 ustep: 0.5067809 iter: 110 value: -963.7924 mgc: 0.004272466 ustep: 0.2673188 iter: 111 value: -963.7925 mgc: 0.004209298 ustep: 0.08694287 iter: 112 value: -963.7926 mgc: 0.004192873 ustep: 0.2949313 iter: 113 value: -963.7926 mgc: 0.004121906 ustep: 0.09324603 iter: 114 value: -963.7927 mgc: 0.004104531 ustep: 0.3054316 iter: 115 value: -963.7929 mgc: 0.004031511 ustep: 0.5527034 iter: 116 value: -963.7931 mgc: 0.003835989 ustep: 0.4934587 iter: 117 value: -963.7931 mgc: 0.003687632 ustep: 0.07293829 iter: 118 value: -963.7932 mgc: 0.003675688 ustep: 0.2701439 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.003620319 outer mgc: 0.06427418 iter: 1 value: -87.46086 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.1428 mgc: 3384.562 ustep: 0.002381288 iter: 3 value: -389.723 mgc: 34.46135 ustep: 0.04889356 iter: 4 value: -450.397 mgc: 817.2858 ustep: 0.03075696 iter: 5 value: -577.7733 mgc: 44.28857 ustep: 0.09194845 iter: 6 value: -626.4842 mgc: 1128.079 ustep: 0.04415613 iter: 7 value: -761.6153 mgc: 20.70993 ustep: 0.2102126 iter: 8 value: -796.5107 mgc: 1906.475 ustep: 0.07379655 iter: 9 value: -863.1747 mgc: 5.324037 ustep: 0.271728 iter: 10 value: -869.3092 mgc: 606.4239 ustep: 0.01143812 iter: 11 value: -884.1561 mgc: 3.409581 ustep: 0.1070385 iter: 12 value: -915.5172 mgc: 49.64145 ustep: 0.3272346 iter: 13 value: -918.9341 mgc: 130.7678 ustep: 0.05164717 iter: 14 value: -929.5258 mgc: 11.99035 ustep: 0.2273374 iter: 15 value: -944.3006 mgc: 82.95995 ustep: 0.4768514 iter: 16 value: -945.2463 mgc: 230.6036 ustep: 0.03597378 iter: 17 value: -947.9331 mgc: 3.259963 ustep: 0.1897486 iter: 18 value: -952.9544 mgc: 85.29342 ustep: 0.4356578 iter: 19 value: -953.5156 mgc: 155.1787 ustep: 0.06518725 iter: 20 value: -955.1376 mgc: 7.273645 ustep: 0.2553924 iter: 21 value: -957.8747 mgc: 130.8771 ustep: 0.5054131 iter: 22 value: -958.3773 mgc: 84.91789 ustep: 0.1436613 iter: 23 value: -959.4644 mgc: 33.35857 ustep: 0.3790889 iter: 24 value: -960.3276 mgc: 210.8063 ustep: 0.3800752 iter: 25 value: -961.2076 mgc: 28.3688 ustep: 0.6165407 iter: 26 value: -961.7278 mgc: 519.9052 ustep: 0.09161564 iter: 27 value: -962.0151 mgc: 3.790697 ustep: 0.3027505 iter: 28 value: -962.5242 mgc: 135.0498 ustep: 0.5502726 iter: 29 value: -963.0167 mgc: 35.03015 ustep: 0.7418295 iter: 30 value: -963.2249 mgc: 280.5673 ustep: 0.3896537 iter: 31 value: -963.364 mgc: 7.376644 ustep: 0.6242601 iter: 32 value: -963.5483 mgc: 279.6351 ustep: 0.5418217 iter: 33 value: -963.6556 mgc: 2.775751 ustep: 0.7361118 iter: 34 value: -963.7762 mgc: 209.0506 ustep: 0.6230873 iter: 35 value: -963.8607 mgc: 0.9164796 ustep: 0.7893798 iter: 36 value: -963.9653 mgc: 87.13819 ustep: 0.8884817 iter: 37 value: -963.968 mgc: 1.650669 ustep: 0.163475 iter: 38 value: -963.9712 mgc: 1.046502 ustep: 0.228213 iter: 39 value: -963.9751 mgc: 0.9999747 ustep: 0.2773165 iter: 40 value: -963.9792 mgc: 0.6887438 ustep: 0.3119687 iter: 41 value: -963.9894 mgc: 0.4248478 ustep: 0.5585857 iter: 42 value: -963.9908 mgc: 0.9706467 ustep: 0.1579661 iter: 43 value: -963.9955 mgc: 0.0219176 ustep: 0.3975098 iter: 44 value: -963.9998 mgc: 0.1398262 ustep: 0.3921127 iter: 45 value: -964.0038 mgc: 0.09255025 ustep: 0.3885909 iter: 46 value: -964.0128 mgc: 0.06681998 ustep: 0.6234082 iter: 47 value: -964.028 mgc: 0.2430718 ustep: 0.7895831 iter: 48 value: -964.0292 mgc: 0.4030917 ustep: 0.2398246 iter: 49 value: -964.0298 mgc: 0.01477413 ustep: 0.1548026 iter: 50 value: -964.0301 mgc: 0.0146615 ustep: 0.06057588 iter: 51 value: -964.0312 mgc: 0.01462197 ustep: 0.2461971 iter: 52 value: -964.0318 mgc: 0.01442491 ustep: 0.1574912 iter: 53 value: -964.0339 mgc: 0.01431313 ustep: 0.3969119 iter: 54 value: -964.0388 mgc: 0.01393159 ustep: 0.6300464 iter: 55 value: -964.0471 mgc: 0.02497557 ustep: 0.7937753 iter: 56 value: -964.0472 mgc: 0.0415389 ustep: 0.06686403 iter: 57 value: -964.0475 mgc: 0.0112099 ustep: 0.1389721 iter: 58 value: -964.0486 mgc: 0.0111363 ustep: 0.3728524 iter: 59 value: -964.0497 mgc: 0.01087194 ustep: 0.3759875 iter: 60 value: -964.0507 mgc: 0.01061072 ustep: 0.3780433 iter: 61 value: -964.0531 mgc: 0.01035381 ustep: 0.6148908 iter: 62 value: -964.0573 mgc: 0.009721066 ustep: 0.7841713 iter: 63 value: -964.0576 mgc: 0.008467583 ustep: 0.2372552 iter: 64 value: -964.0585 mgc: 0.008361617 ustep: 0.4871398 iter: 65 value: -964.0604 mgc: 0.008050067 ustep: 0.6979842 iter: 66 value: -964.0609 mgc: 0.007356771 ustep: 0.3630326 iter: 67 value: -964.061 mgc: 0.007189639 ustep: 0.2059617 iter: 68 value: -964.0613 mgc: 0.007114362 ustep: 0.2609777 iter: 69 value: -964.0616 mgc: 0.007013315 ustep: 0.3006193 iter: 70 value: -964.0624 mgc: 0.006892413 ustep: 0.5483328 iter: 71 value: -964.0626 mgc: 0.006568464 ustep: 0.2862207 iter: 72 value: -964.0627 mgc: 0.006463477 ustep: 0.1742043 iter: 73 value: -964.0631 mgc: 0.006408695 ustep: 0.4174362 iter: 74 value: -964.0632 mgc: 0.006227664 ustep: 0.121735 iter: 75 value: -964.0635 mgc: 0.006192833 ustep: 0.3489706 iter: 76 value: -964.0638 mgc: 0.006060893 ustep: 0.3602595 iter: 77 value: -964.0638 mgc: 0.005925261 ustep: 0.02823217 iter: 78 value: -964.0639 mgc: 0.005918272 ustep: 0.1681075 iter: 79 value: -964.0639 mgc: 0.005870037 ustep: 0.1235783 iter: 80 value: -964.0642 mgc: 0.005836564 ustep: 0.3516019 iter: 81 value: -964.0642 mgc: 0.005710511 ustep: 0.1062502 iter: 82 value: -964.0643 mgc: 0.005683004 ustep: 0.04810935 iter: 83 value: -964.0644 mgc: 0.005671333 ustep: 0.2194165 iter: 84 value: -964.0648 mgc: 0.005607129 ustep: 0.4684723 iter: 85 value: -964.0651 mgc: 0.005412544 ustep: 0.4382462 iter: 86 value: -964.0651 mgc: 0.005245432 ustep: 0.1267677 iter: 87 value: -964.0652 mgc: 0.005214512 ustep: 0.104195 iter: 88 value: -964.0652 mgc: 0.005189851 ustep: 0.1770972 iter: 89 value: -964.0653 mgc: 0.005144605 ustep: 0.2389814 iter: 90 value: -964.0657 mgc: 0.00507939 ustep: 0.4889084 iter: 91 value: -964.0658 mgc: 0.004887958 ustep: 0.2593986 iter: 92 value: -964.0658 mgc: 0.004818823 ustep: 0.1630331 iter: 93 value: -964.0659 mgc: 0.004780668 ustep: 0.2278588 iter: 94 value: -964.066 mgc: 0.004723531 ustep: 0.27706 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.004650437 outer mgc: 0.06108014 iter: 1 value: -87.14043 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0058 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5867 mgc: 34.48006 ustep: 0.04889356 iter: 4 value: -450.2618 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6381 mgc: 44.31882 ustep: 0.09194845 iter: 6 value: -626.3502 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4751 mgc: 20.72668 ustep: 0.2102126 iter: 8 value: -796.3768 mgc: 1908.267 ustep: 0.07379655 iter: 9 value: -863.0257 mgc: 5.323938 ustep: 0.271728 iter: 10 value: -869.1762 mgc: 607.5188 ustep: 0.01143812 iter: 11 value: -884.0229 mgc: 3.409535 ustep: 0.1070385 iter: 12 value: -915.3827 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.7992 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3898 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1628 mgc: 83.06467 ustep: 0.4768514 iter: 16 value: -945.1086 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.795 mgc: 3.260644 ustep: 0.1897486 iter: 18 value: -952.8155 mgc: 85.34056 ustep: 0.4356578 iter: 19 value: -953.3766 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -954.9982 mgc: 7.277391 ustep: 0.2553924 iter: 21 value: -956.5635 mgc: 130.6379 ustep: 0.2967016 iter: 22 value: -958.388 mgc: 35.37285 ustep: 0.5447488 iter: 23 value: -959.4292 mgc: 413.3223 ustep: 0.1541479 iter: 24 value: -960.1972 mgc: 6.744277 ustep: 0.3926775 iter: 25 value: -960.9747 mgc: 313.5089 ustep: 0.3889596 iter: 26 value: -961.4892 mgc: 10.28733 ustep: 0.6237039 iter: 27 value: -962.1364 mgc: 622.6284 ustep: 0.1770579 iter: 28 value: -962.43 mgc: 2.237604 ustep: 0.4208404 iter: 29 value: -962.8739 mgc: 155.4197 ustep: 0.6487573 iter: 30 value: -963.1728 mgc: 18.3472 ustep: 0.8054741 iter: 31 value: -963.3708 mgc: 348.9124 ustep: 0.2476871 iter: 32 value: -963.452 mgc: 3.391368 ustep: 0.4977319 iter: 33 value: -963.5786 mgc: 88.16928 ustep: 0.7055306 iter: 34 value: -963.7042 mgc: 9.944615 ustep: 0.8399747 iter: 35 value: -963.8364 mgc: 107.2901 ustep: 0.9165097 iter: 36 value: -963.8637 mgc: 2.996509 ustep: 0.7934004 iter: 37 value: -963.8769 mgc: 38.7302 ustep: 0.6693899 iter: 38 value: -963.8933 mgc: 0.9626703 ustep: 0.8181807 iter: 39 value: -963.9111 mgc: 4.248803 ustep: 0.9045429 iter: 40 value: -963.9234 mgc: 0.9312494 ustep: 0.9510795 iter: 41 value: -963.9236 mgc: 0.3094038 ustep: 0.3699932 iter: 42 value: -963.9242 mgc: 0.005375077 ustep: 0.6083098 iter: 43 value: -963.9242 mgc: 0.005052841 ustep: 0.04618312 iter: 44 value: -963.9243 mgc: 0.005042814 ustep: 0.2149811 iter: 45 value: -963.9244 mgc: 0.00498674 ustep: 0.1442157 iter: 46 value: -963.9244 mgc: 0.004952472 ustep: 0.1125561 iter: 47 value: -963.9245 mgc: 0.004926815 ustep: 0.09713358 iter: 48 value: -963.9246 mgc: 0.004905147 ustep: 0.3117314 iter: 49 value: -963.9248 mgc: 0.004815595 ustep: 0.3354165 iter: 50 value: -963.9252 mgc: 0.004717827 ustep: 0.5791936 iter: 51 value: -963.9252 mgc: 0.004465383 ustep: 0.1637952 iter: 52 value: -963.9254 mgc: 0.004429741 ustep: 0.4047757 iter: 53 value: -963.9258 mgc: 0.004309339 ustep: 0.6362562 iter: 54 value: -963.9259 mgc: 0.004022079 ustep: 0.3292522 iter: 55 value: -963.926 mgc: 0.003943042 ustep: 0.3471618 iter: 56 value: -963.9261 mgc: 0.003859181 ustep: 0.1052239 iter: 57 value: -963.9262 mgc: 0.003840721 ustep: 0.3244498 iter: 58 value: -963.9263 mgc: 0.003766736 ustep: 0.3439534 iter: 59 value: -963.9264 mgc: 0.003687612 ustep: 0.3569377 iter: 60 value: -963.9266 mgc: 0.003605645 ustep: 0.5974829 iter: 61 value: -963.9266 mgc: 0.003398642 ustep: 0.08846796 iter: 62 value: -963.9266 mgc: 0.003385159 ustep: 0.08447781 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.003372387 outer mgc: 0.0345107 iter: 1 value: -87.15096 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0152 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.596 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.271 mgc: 817.5944 ustep: 0.03075696 iter: 5 value: -577.6469 mgc: 44.31891 ustep: 0.09194845 iter: 6 value: -626.3588 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4833 mgc: 20.7268 ustep: 0.2102126 iter: 8 value: -796.3849 mgc: 1908.27 ustep: 0.07379655 iter: 9 value: -863.0332 mgc: 5.323942 ustep: 0.271728 iter: 10 value: -869.1842 mgc: 607.5199 ustep: 0.01143812 iter: 11 value: -884.031 mgc: 3.409539 ustep: 0.1070385 iter: 12 value: -915.3908 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8073 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3978 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1708 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1166 mgc: 230.5801 ustep: 0.03597378 iter: 17 value: -947.803 mgc: 3.260677 ustep: 0.1897486 iter: 18 value: -952.8234 mgc: 85.34108 ustep: 0.4356578 iter: 19 value: -953.3845 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0062 mgc: 7.277459 ustep: 0.2553924 iter: 21 value: -957.7425 mgc: 130.6385 ustep: 0.5054131 iter: 22 value: -958.2449 mgc: 85.01658 ustep: 0.1436613 iter: 23 value: -959.3316 mgc: 33.27801 ustep: 0.3790889 iter: 24 value: -960.1946 mgc: 210.8121 ustep: 0.3800752 iter: 25 value: -961.0741 mgc: 28.33764 ustep: 0.6165407 iter: 26 value: -961.5943 mgc: 520.0172 ustep: 0.09161564 iter: 27 value: -961.8815 mgc: 3.787522 ustep: 0.3027505 iter: 28 value: -962.3906 mgc: 134.9449 ustep: 0.5502726 iter: 29 value: -962.8832 mgc: 35.06705 ustep: 0.7418295 iter: 30 value: -963.0913 mgc: 280.4062 ustep: 0.3896537 iter: 31 value: -963.2304 mgc: 7.388918 ustep: 0.6242601 iter: 32 value: -963.4148 mgc: 279.7649 ustep: 0.5418217 iter: 33 value: -963.522 mgc: 2.780432 ustep: 0.7361118 iter: 34 value: -963.6428 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7273 mgc: 0.9145505 ustep: 0.7893798 iter: 36 value: -963.832 mgc: 87.3749 ustep: 0.8884817 iter: 37 value: -963.9008 mgc: 1.647271 ustep: 0.9425988 iter: 38 value: -963.9037 mgc: 34.51469 ustep: 0.1981775 iter: 39 value: -963.906 mgc: 0.03780121 ustep: 0.4452268 iter: 40 value: -963.9069 mgc: 0.1099841 ustep: 0.2404658 iter: 41 value: -963.9093 mgc: 0.01267184 ustep: 0.4904241 iter: 42 value: -963.9101 mgc: 0.04346816 ustep: 0.260066 iter: 43 value: -963.9103 mgc: 0.01199689 ustep: 0.08528517 iter: 44 value: -963.9104 mgc: 0.01194983 ustep: 0.02135117 iter: 45 value: -963.9108 mgc: 0.01193883 ustep: 0.1462058 iter: 46 value: -963.9121 mgc: 0.01185323 ustep: 0.3824304 iter: 47 value: -963.9134 mgc: 0.01155284 ustep: 0.3822626 iter: 48 value: -963.914 mgc: 0.01126136 ustep: 0.213946 iter: 49 value: -963.9147 mgc: 0.0111348 ustep: 0.2668954 iter: 50 value: -963.9166 mgc: 0.01096839 ustep: 0.5166675 iter: 51 value: -963.9169 mgc: 0.01050275 ustep: 0.1466102 iter: 52 value: -963.9179 mgc: 0.0104285 ustep: 0.3829588 iter: 53 value: -963.9203 mgc: 0.01016761 ustep: 0.6188748 iter: 54 value: -963.9218 mgc: 0.009559899 ustep: 0.5381099 iter: 55 value: -963.9223 mgc: 0.009095631 ustep: 0.2815005 iter: 56 value: -963.9228 mgc: 0.008951764 ustep: 0.3148504 iter: 57 value: -963.9242 mgc: 0.008786279 ustep: 0.5611592 iter: 58 value: -963.9244 mgc: 0.008349395 ustep: 0.1586844 iter: 59 value: -963.9251 mgc: 0.008285463 ustep: 0.3984123 iter: 60 value: -963.9251 mgc: 0.008067042 ustep: 0.06041939 iter: 61 value: -963.9254 mgc: 0.008045891 ustep: 0.245879 iter: 62 value: -963.9258 mgc: 0.007940087 ustep: 0.2899796 iter: 63 value: -963.9259 mgc: 0.00780977 ustep: 0.09211575 iter: 64 value: -963.9261 mgc: 0.007777531 ustep: 0.1654629 iter: 65 value: -963.9262 mgc: 0.007715046 ustep: 0.1223786 iter: 66 value: -963.9263 mgc: 0.007671353 ustep: 0.1020408 iter: 67 value: -963.9263 mgc: 0.007635914 ustep: 0.02376161 iter: 68 value: -963.9263 mgc: 0.00762833 ustep: 0.04100467 iter: 69 value: -963.9266 mgc: 0.007615032 ustep: 0.2025759 iter: 70 value: -963.9269 mgc: 0.007536846 ustep: 0.2584482 iter: 71 value: -963.9272 mgc: 0.007431098 ustep: 0.2988476 iter: 72 value: -963.9281 mgc: 0.007304001 ustep: 0.5467149 iter: 73 value: -963.9287 mgc: 0.006961243 ustep: 0.4894883 iter: 74 value: -963.9287 mgc: 0.006698998 ustep: 0.03687097 iter: 75 value: -963.9289 mgc: 0.006688544 ustep: 0.1920989 iter: 76 value: -963.9291 mgc: 0.006624233 ustep: 0.2505399 iter: 77 value: -963.9292 mgc: 0.006535028 ustep: 0.1593182 iter: 78 value: -963.9292 mgc: 0.006484844 ustep: 0.06168303 iter: 79 value: -963.9294 mgc: 0.006467483 ustep: 0.2484359 iter: 80 value: -963.9296 mgc: 0.006381335 ustep: 0.1584335 iter: 81 value: -963.9299 mgc: 0.006332644 ustep: 0.3980973 iter: 82 value: -963.9301 mgc: 0.006166035 ustep: 0.2205524 iter: 83 value: -963.9303 mgc: 0.006095562 ustep: 0.2717442 iter: 84 value: -963.9305 mgc: 0.006004008 ustep: 0.3081157 iter: 85 value: -963.9307 mgc: 0.005896671 ustep: 0.3329781 iter: 86 value: -963.9308 mgc: 0.00577936 ustep: 0.1935352 iter: 87 value: -963.931 mgc: 0.005723686 ustep: 0.2516316 iter: 88 value: -963.9314 mgc: 0.005646689 ustep: 0.5016788 iter: 89 value: -963.9317 mgc: 0.005424866 ustep: 0.4598818 iter: 90 value: -963.9325 mgc: 0.005243303 ustep: 0.6781781 iter: 91 value: -963.9325 mgc: 0.004828279 ustep: 0.1948624 iter: 92 value: -963.9326 mgc: 0.004781062 ustep: 0.2526382 iter: 93 value: -963.9327 mgc: 0.004715979 ustep: 0.1601995 iter: 94 value: -963.9328 mgc: 0.004679525 ustep: 0.2255804 iter: 95 value: -963.933 mgc: 0.004624492 ustep: 0.4750056 iter: 96 value: -963.9331 mgc: 0.004459439 ustep: 0.07040992 iter: 97 value: -963.9331 mgc: 0.004445663 ustep: 0.1429105 iter: 98 value: -963.9333 mgc: 0.004415535 ustep: 0.3780973 iter: 99 value: -963.9334 mgc: 0.004308258 ustep: 0.3794257 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.004202923 outer mgc: 0.03450032 iter: 1 value: -87.15071 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0157 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5957 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2703 mgc: 817.5944 ustep: 0.03075696 iter: 5 value: -577.6448 mgc: 44.31889 ustep: 0.09194845 iter: 6 value: -626.3562 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4777 mgc: 20.72677 ustep: 0.2102126 iter: 8 value: -796.3786 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.024 mgc: 5.323941 ustep: 0.271728 iter: 10 value: -869.1746 mgc: 607.5195 ustep: 0.01143812 iter: 11 value: -884.0205 mgc: 3.409538 ustep: 0.1070385 iter: 12 value: -915.3776 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.7939 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3833 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1542 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.0999 mgc: 230.5798 ustep: 0.03597378 iter: 17 value: -947.7859 mgc: 3.260658 ustep: 0.1897486 iter: 18 value: -952.8057 mgc: 85.34062 ustep: 0.4356578 iter: 19 value: -953.3668 mgc: 155.2305 ustep: 0.06518725 iter: 20 value: -954.9882 mgc: 7.277418 ustep: 0.2553924 iter: 21 value: -957.7244 mgc: 130.6384 ustep: 0.5054131 iter: 22 value: -958.2268 mgc: 85.01653 ustep: 0.1436613 iter: 23 value: -959.3135 mgc: 33.27798 ustep: 0.3790889 iter: 24 value: -960.1765 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0562 mgc: 28.33764 ustep: 0.6165407 iter: 26 value: -961.5765 mgc: 520.0171 ustep: 0.09161564 iter: 27 value: -961.8637 mgc: 3.787523 ustep: 0.3027505 iter: 28 value: -962.3729 mgc: 134.945 ustep: 0.5502726 iter: 29 value: -962.8656 mgc: 35.06703 ustep: 0.7418295 iter: 30 value: -963.0737 mgc: 280.4069 ustep: 0.3896537 iter: 31 value: -963.2128 mgc: 7.388903 ustep: 0.6242601 iter: 32 value: -963.3972 mgc: 279.7657 ustep: 0.5418217 iter: 33 value: -963.5044 mgc: 2.780416 ustep: 0.7361118 iter: 34 value: -963.6252 mgc: 209.3557 ustep: 0.6230873 iter: 35 value: -963.7098 mgc: 0.9145371 ustep: 0.7893798 iter: 36 value: -963.7566 mgc: 87.37505 ustep: 0.6659898 iter: 37 value: -963.8092 mgc: 0.9129733 ustep: 0.8161004 iter: 38 value: -963.8295 mgc: 18.70835 ustep: 0.6891134 iter: 39 value: -963.8299 mgc: 0.7449801 ustep: 0.05386195 iter: 40 value: -963.8324 mgc: 0.02370698 ustep: 0.2321586 iter: 41 value: -963.8339 mgc: 0.07089338 ustep: 0.1515549 iter: 42 value: -963.836 mgc: 0.02297731 ustep: 0.2185446 iter: 43 value: -963.8373 mgc: 0.02918391 ustep: 0.1457459 iter: 44 value: -963.8394 mgc: 0.02231933 ustep: 0.2137399 iter: 45 value: -963.8396 mgc: 0.02193403 ustep: 0.03802832 iter: 46 value: -963.8405 mgc: 0.02187817 ustep: 0.1028214 iter: 47 value: -963.842 mgc: 0.02171774 ustep: 0.1758014 iter: 48 value: -963.8469 mgc: 0.02142419 ustep: 0.4193449 iter: 49 value: -963.8512 mgc: 0.05780227 ustep: 0.4063296 iter: 50 value: -963.8529 mgc: 0.03824546 ustep: 0.2240012 iter: 51 value: -963.858 mgc: 0.01928839 ustep: 0.4733403 iter: 52 value: -963.8621 mgc: 0.04098661 ustep: 0.4414118 iter: 53 value: -963.8637 mgc: 0.02369655 ustep: 0.2388367 iter: 54 value: -963.8646 mgc: 0.0171359 ustep: 0.1543849 iter: 55 value: -963.866 mgc: 0.01700434 ustep: 0.2208625 iter: 56 value: -963.8699 mgc: 0.01680304 ustep: 0.4700131 iter: 57 value: -963.8783 mgc: 0.01620017 ustep: 0.6856065 iter: 58 value: -963.8802 mgc: 0.04714792 ustep: 0.3559533 iter: 59 value: -963.881 mgc: 0.01452493 ustep: 0.2030304 iter: 60 value: -963.8816 mgc: 0.01437374 ustep: 0.1390497 iter: 61 value: -963.8835 mgc: 0.0142786 ustep: 0.3729564 iter: 62 value: -963.8843 mgc: 0.01393748 ustep: 0.2100776 iter: 63 value: -963.8868 mgc: 0.01378677 ustep: 0.4583964 iter: 64 value: -963.892 mgc: 0.01332458 ustep: 0.677082 iter: 65 value: -963.8932 mgc: 0.01227465 ustep: 0.3511746 iter: 66 value: -963.8963 mgc: 0.01200978 ustep: 0.5926406 iter: 67 value: -963.9017 mgc: 0.01133893 ustep: 0.7698546 iter: 68 value: -963.9042 mgc: 0.009983167 ustep: 0.6498291 iter: 69 value: -963.9057 mgc: 0.009283904 ustep: 0.5596477 iter: 70 value: -963.9086 mgc: 0.008828461 ustep: 0.7481212 iter: 71 value: -963.9091 mgc: 0.007877607 ustep: 0.3937016 iter: 72 value: -963.9104 mgc: 0.007675006 ustep: 0.6274937 iter: 73 value: -963.9108 mgc: 0.007183115 ustep: 0.3247322 iter: 74 value: -963.9109 mgc: 0.007046408 ustep: 0.1901306 iter: 75 value: -963.9112 mgc: 0.006980269 ustep: 0.2490397 iter: 76 value: -963.9113 mgc: 0.006888025 ustep: 0.1586875 iter: 77 value: -963.9117 mgc: 0.00683594 ustep: 0.3984162 iter: 78 value: -963.9121 mgc: 0.006657634 ustep: 0.3927038 iter: 79 value: -963.9125 mgc: 0.006487799 ustep: 0.3889768 iter: 80 value: -963.9126 mgc: 0.006324639 ustep: 0.2167432 iter: 81 value: -963.9128 mgc: 0.006254471 ustep: 0.2689535 iter: 82 value: -963.9129 mgc: 0.006162499 ustep: 0.08731626 iter: 83 value: -963.913 mgc: 0.006138671 ustep: 0.1606769 iter: 84 value: -963.9131 mgc: 0.006091344 ustep: 0.2259652 iter: 85 value: -963.9133 mgc: 0.006019986 ustep: 0.2756869 iter: 86 value: -963.9134 mgc: 0.00592831 ustep: 0.1698286 iter: 87 value: -963.9137 mgc: 0.005879427 ustep: 0.4121615 iter: 88 value: -963.9138 mgc: 0.005716358 ustep: 0.1204716 iter: 89 value: -963.914 mgc: 0.005684672 ustep: 0.3471556 iter: 90 value: -963.9141 mgc: 0.005564168 ustep: 0.1993919 iter: 91 value: -963.9144 mgc: 0.005508275 ustep: 0.4465886 iter: 92 value: -963.9147 mgc: 0.005332734 ustep: 0.4240288 iter: 93 value: -963.915 mgc: 0.005177097 ustep: 0.4093744 iter: 94 value: -963.9151 mgc: 0.005034463 ustep: 0.2252796 iter: 95 value: -963.9152 mgc: 0.004975302 ustep: 0.2751889 iter: 96 value: -963.9155 mgc: 0.004899197 ustep: 0.5246321 iter: 97 value: -963.9162 mgc: 0.004687232 ustep: 0.7243425 iter: 98 value: -963.9162 mgc: 0.004230317 ustep: 0.2117667 iter: 99 value: -963.9162 mgc: 0.004184096 ustep: 0.0377897 iter: 100 value: -963.9163 mgc: 0.00417735 ustep: 0.1944763 iter: 101 value: -963.9165 mgc: 0.004136273 ustep: 0.4410506 iter: 102 value: -963.9168 mgc: 0.004006118 ustep: 0.66415 iter: 103 value: -963.9169 mgc: 0.003703867 ustep: 0.0513306 iter: 104 value: -963.9169 mgc: 0.003695615 ustep: 0.2266399 iter: 105 value: -963.9171 mgc: 0.003651438 ustep: 0.4761195 iter: 106 value: -963.9174 mgc: 0.003519261 ustep: 0.6900452 iter: 107 value: -963.9175 mgc: 0.003222139 ustep: 0.5884882 iter: 108 value: -963.9176 mgc: 0.003041705 ustep: 0.3052797 iter: 109 value: -963.9177 mgc: 0.002987229 ustep: 0.552566 iter: 110 value: -963.9178 mgc: 0.002841427 ustep: 0.28819 iter: 111 value: -963.9178 mgc: 0.002794399 ustep: 0.175021 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.002769967 outer mgc: 0.02535383 iter: 1 value: -87.14065 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0053 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.587 mgc: 34.48006 ustep: 0.04889356 iter: 4 value: -450.2626 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6401 mgc: 44.31884 ustep: 0.09194845 iter: 6 value: -626.3528 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4806 mgc: 20.72671 ustep: 0.2102126 iter: 8 value: -796.3831 mgc: 1908.268 ustep: 0.07379655 iter: 9 value: -863.0349 mgc: 5.323939 ustep: 0.271728 iter: 10 value: -869.1858 mgc: 607.5192 ustep: 0.01143812 iter: 11 value: -884.0334 mgc: 3.409536 ustep: 0.1070385 iter: 12 value: -915.3959 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8126 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.4044 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1795 mgc: 83.06467 ustep: 0.4768514 iter: 16 value: -945.1253 mgc: 230.5805 ustep: 0.03597378 iter: 17 value: -947.8121 mgc: 3.260663 ustep: 0.1897486 iter: 18 value: -952.8332 mgc: 85.34103 ustep: 0.4356578 iter: 19 value: -953.3944 mgc: 155.2308 ustep: 0.06518725 iter: 20 value: -955.0162 mgc: 7.277432 ustep: 0.2553924 iter: 21 value: -957.7528 mgc: 130.638 ustep: 0.5054131 iter: 22 value: -958.2552 mgc: 85.01665 ustep: 0.1436613 iter: 23 value: -959.3419 mgc: 33.27785 ustep: 0.3790889 iter: 24 value: -960.2048 mgc: 210.8118 ustep: 0.3800752 iter: 25 value: -961.0841 mgc: 28.33756 ustep: 0.6165407 iter: 26 value: -961.6044 mgc: 520.0162 ustep: 0.09161564 iter: 27 value: -961.8916 mgc: 3.787513 ustep: 0.3027505 iter: 28 value: -962.4006 mgc: 134.9443 ustep: 0.5502726 iter: 29 value: -962.893 mgc: 35.06712 ustep: 0.7418295 iter: 30 value: -963.1012 mgc: 280.4047 ustep: 0.3896537 iter: 31 value: -963.2402 mgc: 7.388952 ustep: 0.6242601 iter: 32 value: -963.4246 mgc: 279.7637 ustep: 0.5418217 iter: 33 value: -963.5319 mgc: 2.780456 ustep: 0.7361118 iter: 34 value: -963.6526 mgc: 209.3544 ustep: 0.6230873 iter: 35 value: -963.7371 mgc: 0.9145653 ustep: 0.7893798 iter: 36 value: -963.8418 mgc: 87.37481 ustep: 0.8884817 iter: 37 value: -963.9104 mgc: 1.647277 ustep: 0.9425988 iter: 38 value: -963.9142 mgc: 34.5148 ustep: 0.3571124 iter: 39 value: -963.9181 mgc: 0.06753675 ustep: 0.5976291 iter: 40 value: -963.9186 mgc: 0.2159951 ustep: 0.1691687 iter: 41 value: -963.919 mgc: 0.01221624 ustep: 0.1240584 iter: 42 value: -963.9202 mgc: 0.01214322 ustep: 0.352284 iter: 43 value: -963.9233 mgc: 0.01187029 ustep: 0.5935758 iter: 44 value: -963.9241 mgc: 0.03837971 ustep: 0.30776 iter: 45 value: -963.9263 mgc: 0.01098165 ustep: 0.5548057 iter: 46 value: -963.9305 mgc: 0.01394824 ustep: 0.7448783 iter: 47 value: -963.9309 mgc: 0.03008047 ustep: 0.2199827 iter: 48 value: -963.9311 mgc: 0.00921153 ustep: 0.1463623 iter: 49 value: -963.9315 mgc: 0.00914692 ustep: 0.2142528 iter: 50 value: -963.9325 mgc: 0.009045377 ustep: 0.4629282 iter: 51 value: -963.9329 mgc: 0.008735893 ustep: 0.2480727 iter: 52 value: -963.9339 mgc: 0.008619091 ustep: 0.4981192 iter: 53 value: -963.9341 mgc: 0.008281914 ustep: 0.1417704 iter: 54 value: -963.9347 mgc: 0.008226186 ustep: 0.3765864 iter: 55 value: -963.9361 mgc: 0.008027451 ustep: 0.613705 iter: 56 value: -963.9362 mgc: 0.007537185 ustep: 0.17399 iter: 57 value: -963.9365 mgc: 0.007472747 ustep: 0.2365494 iter: 58 value: -963.9372 mgc: 0.007379161 ustep: 0.4864149 iter: 59 value: -963.9387 mgc: 0.007103842 ustep: 0.6974647 iter: 60 value: -963.9388 mgc: 0.006491319 ustep: 0.2016891 iter: 61 value: -963.9393 mgc: 0.006424878 ustep: 0.4491532 iter: 62 value: -963.9397 mgc: 0.00621733 ustep: 0.4256944 iter: 63 value: -963.9405 mgc: 0.006034167 ustep: 0.6524873 iter: 64 value: -963.9406 mgc: 0.005603445 ustep: 0.1862181 iter: 65 value: -963.941 mgc: 0.005551826 ustep: 0.4315868 iter: 66 value: -963.9411 mgc: 0.005385488 ustep: 0.2346566 iter: 67 value: -963.9412 mgc: 0.005319117 ustep: 0.2819643 iter: 68 value: -963.9414 mgc: 0.005235397 ustep: 0.3151693 iter: 69 value: -963.9415 mgc: 0.005139019 ustep: 0.1861817 iter: 70 value: -963.9418 mgc: 0.005091535 ustep: 0.4315446 iter: 71 value: -963.9418 mgc: 0.00493853 ustep: 0.06465305 iter: 72 value: -963.9419 mgc: 0.004924637 ustep: 0.2543442 iter: 73 value: -963.9422 mgc: 0.004856982 ustep: 0.5043751 iter: 74 value: -963.9422 mgc: 0.004662919 ustep: 0.07446094 iter: 75 value: -963.9423 mgc: 0.004647626 ustep: 0.272948 iter: 76 value: -963.9424 mgc: 0.004577303 ustep: 0.08822844 iter: 77 value: -963.9424 mgc: 0.004559245 ustep: 0.08434661 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.004542118 outer mgc: 0.01798652 iter: 1 value: -87.14553 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0069 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5865 mgc: 34.47985 ustep: 0.04889356 iter: 4 value: -450.2609 mgc: 817.5949 ustep: 0.03075696 iter: 5 value: -577.6359 mgc: 44.31948 ustep: 0.09194845 iter: 6 value: -626.3474 mgc: 1128.72 ustep: 0.04415613 iter: 7 value: -761.4711 mgc: 20.72728 ustep: 0.2102126 iter: 8 value: -796.3726 mgc: 1908.275 ustep: 0.07379655 iter: 9 value: -863.0209 mgc: 5.323948 ustep: 0.271728 iter: 10 value: -869.1716 mgc: 607.5173 ustep: 0.01143812 iter: 11 value: -884.0184 mgc: 3.409543 ustep: 0.1070385 iter: 12 value: -915.3783 mgc: 49.77533 ustep: 0.3272346 iter: 13 value: -918.7948 mgc: 130.8825 ustep: 0.05164717 iter: 14 value: -929.3855 mgc: 12.03843 ustep: 0.2273374 iter: 15 value: -944.1588 mgc: 83.06487 ustep: 0.4768514 iter: 16 value: -945.1047 mgc: 230.5791 ustep: 0.03597378 iter: 17 value: -947.7911 mgc: 3.260782 ustep: 0.1897486 iter: 18 value: -952.8118 mgc: 85.34226 ustep: 0.4356578 iter: 19 value: -953.373 mgc: 155.2298 ustep: 0.06518725 iter: 20 value: -954.9947 mgc: 7.277665 ustep: 0.2553924 iter: 21 value: -957.7312 mgc: 130.6411 ustep: 0.5054131 iter: 22 value: -958.2336 mgc: 85.01565 ustep: 0.1436613 iter: 23 value: -959.3204 mgc: 33.279 ustep: 0.3790889 iter: 24 value: -960.1833 mgc: 210.8126 ustep: 0.3800752 iter: 25 value: -961.0629 mgc: 28.33815 ustep: 0.6165407 iter: 26 value: -961.5832 mgc: 520.0212 ustep: 0.09161564 iter: 27 value: -961.7397 mgc: 3.787579 ustep: 0.1649688 iter: 28 value: -962.1121 mgc: 42.22568 ustep: 0.4062229 iter: 29 value: -962.6446 mgc: 86.19789 ustep: 0.6373925 iter: 30 value: -962.9175 mgc: 72.99934 ustep: 0.5509335 iter: 31 value: -963.2395 mgc: 71.19323 ustep: 0.7422747 iter: 32 value: -963.3318 mgc: 98.39913 ustep: 0.3899381 iter: 33 value: -963.4522 mgc: 25.24928 ustep: 0.6244878 iter: 34 value: -963.6136 mgc: 119.3989 ustep: 0.7902664 iter: 35 value: -963.7384 mgc: 15.43019 ustep: 0.8889804 iter: 36 value: -963.7908 mgc: 162.3005 ustep: 0.5109612 iter: 37 value: -963.8046 mgc: 1.85197 ustep: 0.4659534 iter: 38 value: -963.8094 mgc: 15.436 ustep: 0.2493811 iter: 39 value: -963.8209 mgc: 0.9528778 ustep: 0.4994308 iter: 40 value: -963.8248 mgc: 3.171703 ustep: 0.2640479 iter: 41 value: -963.8348 mgc: 0.2636908 ustep: 0.5139045 iter: 42 value: -963.8535 mgc: 1.061251 ustep: 0.7168996 iter: 43 value: -963.8543 mgc: 1.986941 ustep: 0.1105534 iter: 44 value: -963.8576 mgc: 0.02032404 ustep: 0.3325625 iter: 45 value: -963.8591 mgc: 0.06904929 ustep: 0.1933636 iter: 46 value: -963.8611 mgc: 0.0194016 ustep: 0.2515013 iter: 47 value: -963.8635 mgc: 0.02374547 ustep: 0.2939599 iter: 48 value: -963.8662 mgc: 0.02995179 ustep: 0.323378 iter: 49 value: -963.8727 mgc: 0.03226288 ustep: 0.5687065 iter: 50 value: -963.8847 mgc: 0.1495497 ustep: 0.7541509 iter: 51 value: -963.8849 mgc: 0.312053 ustep: 0.03117182 iter: 52 value: -963.8852 mgc: 0.01476583 ustep: 0.09259765 iter: 53 value: -963.8868 mgc: 0.01470304 ustep: 0.3043682 iter: 54 value: -963.8871 mgc: 0.01443942 ustep: 0.09540134 iter: 55 value: -963.8886 mgc: 0.0143762 ustep: 0.3089402 iter: 56 value: -963.8924 mgc: 0.0141138 ustep: 0.5558683 iter: 57 value: -963.8935 mgc: 0.02252472 ustep: 0.2897323 iter: 58 value: -963.8966 mgc: 0.01319716 ustep: 0.538314 iter: 59 value: -963.9024 mgc: 0.01259354 ustep: 0.7337255 iter: 60 value: -963.9109 mgc: 0.02636418 ustep: 0.8565921 iter: 61 value: -963.912 mgc: 0.0267692 ustep: 0.4774922 iter: 62 value: -963.9128 mgc: 0.008775655 ustep: 0.444113 iter: 63 value: -963.9132 mgc: 0.008499054 ustep: 0.2399899 iter: 64 value: -963.9134 mgc: 0.008391122 ustep: 0.1548724 iter: 65 value: -963.914 mgc: 0.008328951 ustep: 0.393599 iter: 66 value: -963.9155 mgc: 0.008114413 ustep: 0.627412 iter: 67 value: -963.918 mgc: 0.007593341 ustep: 0.7921142 iter: 68 value: -963.9212 mgc: 0.006571362 ustep: 0.890019 iter: 69 value: -963.9238 mgc: 0.004939536 ustep: 0.9434138 iter: 70 value: -963.9239 mgc: 0.002924782 ustep: 0.588237 iter: 71 value: -963.9242 mgc: 0.002761522 ustep: 0.7669894 iter: 72 value: -963.9242 mgc: 0.002429523 ustep: 0.1221621 iter: 73 value: -963.9242 mgc: 0.002415565 ustep: 0.1934957 iter: 74 value: -963.9242 mgc: 0.002391733 ustep: 0.2516016 iter: 75 value: -963.9243 mgc: 0.002358787 ustep: 0.5016489 iter: 76 value: -963.9244 mgc: 0.002264007 ustep: 0.4598623 iter: 77 value: -963.9245 mgc: 0.002186522 ustep: 0.6781636 iter: 78 value: -963.9245 mgc: 0.002009902 ustep: 0.1026923 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.002000354 outer mgc: 0.02604342 iter: 1 value: -87.14584 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0141 mgc: 3386.081 ustep: 0.002381288 iter: 3 value: -389.5962 mgc: 34.48028 ustep: 0.04889356 iter: 4 value: -450.2719 mgc: 817.5938 ustep: 0.03075696 iter: 5 value: -577.6491 mgc: 44.31825 ustep: 0.09194845 iter: 6 value: -626.3615 mgc: 1128.716 ustep: 0.04415613 iter: 7 value: -761.4872 mgc: 20.7262 ustep: 0.2102126 iter: 8 value: -796.3891 mgc: 1908.262 ustep: 0.07379655 iter: 9 value: -863.038 mgc: 5.323931 ustep: 0.271728 iter: 10 value: -869.1888 mgc: 607.5214 ustep: 0.01143812 iter: 11 value: -884.0355 mgc: 3.409531 ustep: 0.1070385 iter: 12 value: -915.3952 mgc: 49.77536 ustep: 0.3272346 iter: 13 value: -918.8117 mgc: 130.882 ustep: 0.05164717 iter: 14 value: -929.4021 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1748 mgc: 83.06446 ustep: 0.4768514 iter: 16 value: -945.1205 mgc: 230.5813 ustep: 0.03597378 iter: 17 value: -947.8068 mgc: 3.260538 ustep: 0.1897486 iter: 18 value: -952.8271 mgc: 85.33938 ustep: 0.4356578 iter: 19 value: -953.3882 mgc: 155.2315 ustep: 0.06518725 iter: 20 value: -955.0097 mgc: 7.277185 ustep: 0.2553924 iter: 21 value: -957.746 mgc: 130.6353 ustep: 0.5054131 iter: 22 value: -958.2483 mgc: 85.01753 ustep: 0.1436613 iter: 23 value: -959.335 mgc: 33.27684 ustep: 0.3790889 iter: 24 value: -960.198 mgc: 210.8112 ustep: 0.3800752 iter: 25 value: -961.0774 mgc: 28.33705 ustep: 0.6165407 iter: 26 value: -961.5977 mgc: 520.012 ustep: 0.09161564 iter: 27 value: -961.8849 mgc: 3.787456 ustep: 0.3027505 iter: 28 value: -962.394 mgc: 134.9404 ustep: 0.5502726 iter: 29 value: -962.8865 mgc: 35.06781 ustep: 0.7418295 iter: 30 value: -963.0947 mgc: 280.3922 ustep: 0.3896537 iter: 31 value: -963.2337 mgc: 7.389295 ustep: 0.6242601 iter: 32 value: -963.4181 mgc: 279.7523 ustep: 0.5418217 iter: 33 value: -963.4893 mgc: 2.780731 ustep: 0.4862508 iter: 34 value: -963.6026 mgc: 76.91461 ustep: 0.6973472 iter: 35 value: -963.7255 mgc: 11.5928 ustep: 0.8350896 iter: 36 value: -963.8471 mgc: 86.31521 ustep: 0.913841 iter: 37 value: -963.9117 mgc: 4.719109 ustep: 0.9559547 iter: 38 value: -963.9366 mgc: 54.74745 ustep: 0.9777316 iter: 39 value: -963.9393 mgc: 0.6566505 ustep: 0.9888042 iter: 40 value: -963.9394 mgc: 3.586763 ustep: 0.1493787 iter: 41 value: -963.9394 mgc: 0.0008277677 ustep: 0.05923673 iter: 42 value: -963.9394 mgc: 0.0008256231 ustep: 0.06735981 iter: 43 value: -963.9394 mgc: 0.0008231703 ustep: 0.1395279 iter: 44 value: -963.9394 mgc: 0.0008176993 ustep: 0.3735969 iter: 45 value: -963.9394 mgc: 0.000798049 ustep: 0.3764759 iter: 46 value: -963.9394 mgc: 0.0007786288 ustep: 0.2115395 iter: 47 value: -963.9394 mgc: 0.0007700918 ustep: 0.4599882 iter: 48 value: -963.9394 mgc: 0.0007438883 ustep: 0.4327323 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.0007211232 outer mgc: 0.02601591 iter: 1 value: -87.5601 mgc: 22.07699 ustep: 0.0692153 iter: 2 value: -275.0802 mgc: 3386.522 ustep: 0.002381288 iter: 3 value: -389.6132 mgc: 34.43617 ustep: 0.04889356 iter: 4 value: -450.2701 mgc: 817.932 ustep: 0.03075696 iter: 5 value: -577.6135 mgc: 44.29623 ustep: 0.09194845 iter: 6 value: -626.3212 mgc: 1129.134 ustep: 0.04415613 iter: 7 value: -761.427 mgc: 20.70679 ustep: 0.2102126 iter: 8 value: -796.326 mgc: 1908.576 ustep: 0.07379655 iter: 9 value: -862.991 mgc: 5.323775 ustep: 0.271728 iter: 10 value: -869.1128 mgc: 607.6153 ustep: 0.01143812 iter: 11 value: -883.957 mgc: 3.409381 ustep: 0.1070385 iter: 12 value: -915.3115 mgc: 49.66187 ustep: 0.3272346 iter: 13 value: -918.7278 mgc: 130.8663 ustep: 0.05164717 iter: 14 value: -929.3173 mgc: 12.00773 ustep: 0.2273374 iter: 15 value: -944.0889 mgc: 82.94228 ustep: 0.4768514 iter: 16 value: -945.035 mgc: 230.3261 ustep: 0.03597378 iter: 17 value: -947.7213 mgc: 3.249407 ustep: 0.1897486 iter: 18 value: -952.7422 mgc: 85.07813 ustep: 0.4356578 iter: 19 value: -953.3035 mgc: 155.1392 ustep: 0.06518725 iter: 20 value: -954.9253 mgc: 7.258822 ustep: 0.2553924 iter: 21 value: -956.491 mgc: 130.469 ustep: 0.2967016 iter: 22 value: -958.3151 mgc: 35.3661 ustep: 0.5447488 iter: 23 value: -959.3579 mgc: 413.0223 ustep: 0.1541479 iter: 24 value: -960.126 mgc: 6.743113 ustep: 0.3926775 iter: 25 value: -960.9043 mgc: 313.4683 ustep: 0.3889596 iter: 26 value: -961.4186 mgc: 10.28622 ustep: 0.6237039 iter: 27 value: -962.0669 mgc: 622.9924 ustep: 0.1770579 iter: 28 value: -962.3608 mgc: 2.237349 ustep: 0.4208404 iter: 29 value: -962.8052 mgc: 155.6014 ustep: 0.6487573 iter: 30 value: -963.1041 mgc: 18.3183 ustep: 0.8054741 iter: 31 value: -963.3029 mgc: 349.9111 ustep: 0.2476871 iter: 32 value: -963.3842 mgc: 3.593034 ustep: 0.4977319 iter: 33 value: -963.5109 mgc: 88.37044 ustep: 0.7055306 iter: 34 value: -963.6366 mgc: 9.918707 ustep: 0.8399747 iter: 35 value: -963.769 mgc: 107.8662 ustep: 0.9165097 iter: 36 value: -963.7819 mgc: 2.955057 ustep: 0.5454132 iter: 37 value: -963.8007 mgc: 18.69093 ustep: 0.7385471 iter: 38 value: -963.8045 mgc: 4.53701 ustep: 0.3875668 iter: 39 value: -963.8078 mgc: 0.8173228 ustep: 0.3856215 iter: 40 value: -963.8085 mgc: 0.3640376 ustep: 0.1141809 iter: 41 value: -963.811 mgc: 0.01693705 ustep: 0.3379728 iter: 42 value: -963.8135 mgc: 0.1101375 ustep: 0.3529687 iter: 43 value: -963.8146 mgc: 0.07885741 ustep: 0.2017956 iter: 44 value: -963.815 mgc: 0.01570737 ustep: 0.07182941 iter: 45 value: -963.8157 mgc: 0.01565497 ustep: 0.1444642 iter: 46 value: -963.8168 mgc: 0.01554169 ustep: 0.212671 iter: 47 value: -963.8175 mgc: 0.01536315 ustep: 0.1432212 iter: 48 value: -963.8186 mgc: 0.01525366 ustep: 0.2116312 iter: 49 value: -963.82 mgc: 0.01508034 ustep: 0.2651864 iter: 50 value: -963.8237 mgc: 0.01485173 ustep: 0.515011 iter: 51 value: -963.831 mgc: 0.08105524 ustep: 0.7176709 iter: 52 value: -963.8418 mgc: 0.2034133 ustep: 0.8471699 iter: 53 value: -963.8432 mgc: 0.2224167 ustep: 0.4687658 iter: 54 value: -963.8437 mgc: 0.01010045 ustep: 0.2505999 iter: 55 value: -963.8452 mgc: 0.00996382 ustep: 0.5006495 iter: 56 value: -963.8481 mgc: 0.009571017 ustep: 0.7075951 iter: 57 value: -963.8496 mgc: 0.009154221 ustep: 0.601446 iter: 58 value: -963.8507 mgc: 0.008204741 ustep: 0.5261879 iter: 59 value: -963.8515 mgc: 0.007849087 ustep: 0.4759443 iter: 60 value: -963.8531 mgc: 0.007568649 ustep: 0.6899182 iter: 61 value: -963.854 mgc: 0.006938512 ustep: 0.5883954 iter: 62 value: -963.8557 mgc: 0.006555773 ustep: 0.7670926 iter: 63 value: -963.8564 mgc: 0.005779789 ustep: 0.6475869 iter: 64 value: -963.8569 mgc: 0.00537766 ustep: 0.5580702 iter: 65 value: -963.857 mgc: 0.00511436 ustep: 0.1578225 iter: 66 value: -963.8571 mgc: 0.005075572 ustep: 0.2236588 iter: 67 value: -963.8571 mgc: 0.005016609 ustep: 0.1479348 iter: 68 value: -963.8573 mgc: 0.004981316 ustep: 0.3846845 iter: 69 value: -963.8574 mgc: 0.004857282 ustep: 0.2149544 iter: 70 value: -963.8575 mgc: 0.004803538 ustep: 0.2676382 iter: 71 value: -963.8577 mgc: 0.004732826 ustep: 0.3052651 iter: 72 value: -963.8578 mgc: 0.004649253 ustep: 0.3310519 iter: 73 value: -963.8579 mgc: 0.004556932 ustep: 0.1927399 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.004512807 outer mgc: 0.1522709 iter: 1 value: -86.72886 mgc: 22.08001 ustep: 0.0692153 iter: 2 value: -274.9406 mgc: 3385.641 ustep: 0.002381288 iter: 3 value: -389.5694 mgc: 34.52403 ustep: 0.04889356 iter: 4 value: -450.2627 mgc: 817.2565 ustep: 0.03075696 iter: 5 value: -577.6714 mgc: 44.34147 ustep: 0.09194845 iter: 6 value: -626.3877 mgc: 1128.302 ustep: 0.04415613 iter: 7 value: -761.5312 mgc: 20.74667 ustep: 0.2102126 iter: 8 value: -796.4356 mgc: 1907.962 ustep: 0.07379655 iter: 9 value: -863.0676 mgc: 5.324105 ustep: 0.271728 iter: 10 value: -869.2475 mgc: 607.4223 ustep: 0.01143812 iter: 11 value: -884.0969 mgc: 3.409694 ustep: 0.1070385 iter: 12 value: -915.4618 mgc: 49.88822 ustep: 0.3272346 iter: 13 value: -918.8786 mgc: 130.8978 ustep: 0.05164717 iter: 14 value: -929.4703 mgc: 12.06896 ustep: 0.2273374 iter: 15 value: -944.2447 mgc: 83.18715 ustep: 0.4768514 iter: 16 value: -945.1901 mgc: 230.8347 ustep: 0.03597378 iter: 17 value: -947.8766 mgc: 3.271948 ustep: 0.1897486 iter: 18 value: -952.8967 mgc: 85.60405 ustep: 0.4356578 iter: 19 value: -953.4576 mgc: 155.3218 ustep: 0.06518725 iter: 20 value: -955.079 mgc: 7.29606 ustep: 0.2553924 iter: 21 value: -957.8145 mgc: 130.8074 ustep: 0.5054131 iter: 22 value: -958.3167 mgc: 85.01641 ustep: 0.1436613 iter: 23 value: -959.403 mgc: 33.33333 ustep: 0.3790889 iter: 24 value: -960.2655 mgc: 210.8507 ustep: 0.3800752 iter: 25 value: -961.1445 mgc: 28.36351 ustep: 0.6165407 iter: 26 value: -961.6643 mgc: 519.8516 ustep: 0.09161564 iter: 27 value: -961.9513 mgc: 3.789839 ustep: 0.3027505 iter: 28 value: -962.4599 mgc: 134.9021 ustep: 0.5502726 iter: 29 value: -962.9521 mgc: 35.08017 ustep: 0.7418295 iter: 30 value: -963.1596 mgc: 280.0335 ustep: 0.3896537 iter: 31 value: -963.2987 mgc: 7.396785 ustep: 0.6242601 iter: 32 value: -963.4826 mgc: 279.0769 ustep: 0.5418217 iter: 33 value: -963.59 mgc: 2.785905 ustep: 0.7361118 iter: 34 value: -963.7102 mgc: 208.5938 ustep: 0.6230873 iter: 35 value: -963.7948 mgc: 0.9225925 ustep: 0.7893798 iter: 36 value: -963.8993 mgc: 86.90099 ustep: 0.8884817 iter: 37 value: -963.9681 mgc: 1.658907 ustep: 0.9425988 iter: 38 value: -963.9811 mgc: 34.2053 ustep: 0.8292659 iter: 39 value: -963.9827 mgc: 0.2503229 ustep: 0.4531586 iter: 40 value: -963.986 mgc: 0.1338276 ustep: 0.6732032 iter: 41 value: -963.9868 mgc: 0.106394 ustep: 0.3490249 iter: 42 value: -963.9888 mgc: 0.00970866 ustep: 0.5908242 iter: 43 value: -963.9889 mgc: 0.01355545 ustep: 0.08739426 iter: 44 value: -963.9894 mgc: 0.009126881 ustep: 0.2956956 iter: 45 value: -963.99 mgc: 0.008971741 ustep: 0.32456 iter: 46 value: -963.9915 mgc: 0.008797832 ustep: 0.5697447 iter: 47 value: -963.9917 mgc: 0.00834436 ustep: 0.1611004 iter: 48 value: -963.9918 mgc: 0.008279133 ustep: 0.1203893 iter: 49 value: -963.9923 mgc: 0.008232916 ustep: 0.3470369 iter: 50 value: -963.9936 mgc: 0.008057408 ustep: 0.5891395 iter: 51 value: -963.9937 mgc: 0.007610748 ustep: 0.08712464 iter: 52 value: -963.994 mgc: 0.007581137 ustep: 0.2952393 iter: 53 value: -963.9941 mgc: 0.007453398 ustep: 0.04779585 iter: 54 value: -963.9943 mgc: 0.007438124 ustep: 0.2187008 iter: 55 value: -963.9946 mgc: 0.007353929 ustep: 0.2703893 iter: 56 value: -963.9954 mgc: 0.007244148 ustep: 0.5200378 iter: 57 value: -963.996 mgc: 0.006936907 ustep: 0.4719039 iter: 58 value: -963.9972 mgc: 0.006692475 ustep: 0.6869839 iter: 59 value: -963.9979 mgc: 0.006141364 ustep: 0.5862531 iter: 60 value: -963.9979 mgc: 0.00580489 ustep: 0.04430972 iter: 61 value: -963.9981 mgc: 0.005793901 ustep: 0.2105777 iter: 62 value: -963.9982 mgc: 0.005731352 ustep: 0.2644068 iter: 63 value: -963.9987 mgc: 0.005648275 ustep: 0.5142536 iter: 64 value: -963.999 mgc: 0.005414404 ustep: 0.4681102 iter: 65 value: -963.9991 mgc: 0.005227467 ustep: 0.1341434 iter: 66 value: -963.9992 mgc: 0.005194758 ustep: 0.203939 iter: 67 value: -963.9992 mgc: 0.005141207 ustep: 0.03684077 iter: 68 value: -963.9993 mgc: 0.005133224 ustep: 0.1920203 iter: 69 value: -963.9994 mgc: 0.005084077 ustep: 0.2504801 iter: 70 value: -963.9997 mgc: 0.005015861 ustep: 0.5005298 iter: 71 value: -964.0004 mgc: 0.004819043 ustep: 0.7075105 iter: 72 value: -964.0005 mgc: 0.004385325 ustep: 0.2053738 iter: 73 value: -964.0007 mgc: 0.004339451 ustep: 0.4532365 iter: 74 value: -964.0008 mgc: 0.004196987 ustep: 0.4283464 iter: 75 value: -964.0009 mgc: 0.004071918 ustep: 0.1243635 iter: 76 value: -964.001 mgc: 0.004048345 ustep: 0.3527169 iter: 77 value: -964.001 mgc: 0.003959813 ustep: 0.1065082 iter: 78 value: -964.001 mgc: 0.003940537 ustep: 0.09404627 iter: 79 value: -964.001 mgc: 0.003923819 ustep: 0.08750031 iter: 80 value: -964.0011 mgc: 0.003908435 ustep: 0.2958749 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.003842128 outer mgc: 0.1556311 iter: 1 value: -87.14527 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0102 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5908 mgc: 34.48009 ustep: 0.04889356 iter: 4 value: -450.2657 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6413 mgc: 44.31886 ustep: 0.09194845 iter: 6 value: -626.3531 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4773 mgc: 20.72675 ustep: 0.2102126 iter: 8 value: -796.3789 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0271 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1781 mgc: 607.5196 ustep: 0.01143812 iter: 11 value: -884.0249 mgc: 3.409538 ustep: 0.1070385 iter: 12 value: -915.3847 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8012 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3918 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1648 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1106 mgc: 230.5804 ustep: 0.03597378 iter: 17 value: -947.797 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8175 mgc: 85.34085 ustep: 0.4356578 iter: 19 value: -953.3786 mgc: 155.2308 ustep: 0.06518725 iter: 20 value: -955.0002 mgc: 7.277413 ustep: 0.2553924 iter: 21 value: -957.7366 mgc: 130.6381 ustep: 0.5054131 iter: 22 value: -958.239 mgc: 85.01669 ustep: 0.1436613 iter: 23 value: -959.3257 mgc: 33.27786 ustep: 0.3790889 iter: 24 value: -960.1887 mgc: 210.812 ustep: 0.3800752 iter: 25 value: -961.0682 mgc: 28.33756 ustep: 0.6165407 iter: 26 value: -961.5885 mgc: 520.0165 ustep: 0.09161564 iter: 27 value: -961.8757 mgc: 3.787513 ustep: 0.3027505 iter: 28 value: -962.3848 mgc: 134.9443 ustep: 0.5502726 iter: 29 value: -962.8773 mgc: 35.06715 ustep: 0.7418295 iter: 30 value: -963.0854 mgc: 280.4043 ustep: 0.3896537 iter: 31 value: -963.2245 mgc: 7.388969 ustep: 0.6242601 iter: 32 value: -963.4089 mgc: 279.7632 ustep: 0.5418217 iter: 33 value: -963.5161 mgc: 2.780472 ustep: 0.7361118 iter: 34 value: -963.6369 mgc: 209.3538 ustep: 0.6230873 iter: 35 value: -963.7215 mgc: 0.9145829 ustep: 0.7893798 iter: 36 value: -963.8261 mgc: 87.37448 ustep: 0.8884817 iter: 37 value: -963.8949 mgc: 1.647293 ustep: 0.9425988 iter: 38 value: -963.9079 mgc: 34.51457 ustep: 0.8292659 iter: 39 value: -963.9197 mgc: 0.2495967 ustep: 0.9106493 iter: 40 value: -963.9274 mgc: 0.8946773 ustep: 0.954284 iter: 41 value: -963.9274 mgc: 0.06375376 ustep: 0.1109673 iter: 42 value: -963.9275 mgc: 0.004199285 ustep: 0.3331842 iter: 43 value: -963.9276 mgc: 0.004114685 ustep: 0.1020033 iter: 44 value: -963.9276 mgc: 0.004095542 ustep: 0.1750265 iter: 45 value: -963.9278 mgc: 0.004060098 ustep: 0.4184199 iter: 46 value: -963.9279 mgc: 0.003943356 ustep: 0.4057281 iter: 47 value: -963.9281 mgc: 0.00383559 ustep: 0.3974689 iter: 48 value: -963.9281 mgc: 0.003734201 ustep: 0.1169762 iter: 49 value: -963.9281 mgc: 0.00371395 ustep: 0.1888607 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.003678692 outer mgc: 0.04686968 iter: 1 value: -87.1461 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0108 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5919 mgc: 34.48004 ustep: 0.04889356 iter: 4 value: -450.2672 mgc: 817.5944 ustep: 0.03075696 iter: 5 value: -577.6437 mgc: 44.31888 ustep: 0.09194845 iter: 6 value: -626.3558 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.481 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3827 mgc: 1908.268 ustep: 0.07379655 iter: 9 value: -863.0318 mgc: 5.323939 ustep: 0.271728 iter: 10 value: -869.1822 mgc: 607.5191 ustep: 0.01143812 iter: 11 value: -884.029 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3888 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8053 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3959 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1688 mgc: 83.06467 ustep: 0.4768514 iter: 16 value: -945.1146 mgc: 230.5799 ustep: 0.03597378 iter: 17 value: -947.8009 mgc: 3.260661 ustep: 0.1897486 iter: 18 value: -952.8214 mgc: 85.34079 ustep: 0.4356578 iter: 19 value: -953.3825 mgc: 155.2305 ustep: 0.06518725 iter: 20 value: -955.0041 mgc: 7.277437 ustep: 0.2553924 iter: 21 value: -957.7405 mgc: 130.6383 ustep: 0.5054131 iter: 22 value: -958.2429 mgc: 85.01649 ustep: 0.1436613 iter: 23 value: -959.3297 mgc: 33.27798 ustep: 0.3790889 iter: 24 value: -960.1926 mgc: 210.8118 ustep: 0.3800752 iter: 25 value: -961.0721 mgc: 28.33764 ustep: 0.6165407 iter: 26 value: -961.5924 mgc: 520.0168 ustep: 0.09161564 iter: 27 value: -961.8796 mgc: 3.787522 ustep: 0.3027505 iter: 28 value: -962.3887 mgc: 134.945 ustep: 0.5502726 iter: 29 value: -962.8813 mgc: 35.067 ustep: 0.7418295 iter: 30 value: -963.0894 mgc: 280.4072 ustep: 0.3896537 iter: 31 value: -963.1927 mgc: 7.388886 ustep: 0.386985 iter: 32 value: -963.3638 mgc: 110.4566 ustep: 0.622119 iter: 33 value: -963.5424 mgc: 19.23435 ustep: 0.7887663 iter: 34 value: -963.7403 mgc: 159.6406 ustep: 0.8881364 iter: 35 value: -963.8209 mgc: 6.200849 ustep: 0.9424156 iter: 36 value: -963.869 mgc: 200.8268 ustep: 0.8289898 iter: 37 value: -963.8967 mgc: 67.80966 ustep: 0.4529269 iter: 38 value: -963.9018 mgc: 29.16601 ustep: 0.4281453 iter: 39 value: -963.9078 mgc: 6.388947 ustep: 0.6543627 iter: 40 value: -963.916 mgc: 1.611567 ustep: 0.808946 iter: 41 value: -963.925 mgc: 2.305581 ustep: 0.8994243 iter: 42 value: -963.9314 mgc: 0.4906894 ustep: 0.948385 iter: 43 value: -963.9315 mgc: 0.1271601 ustep: 0.2035536 iter: 44 value: -963.9316 mgc: 0.004154297 ustep: 0.25918 iter: 45 value: -963.9318 mgc: 0.004095363 ustep: 0.5091463 iter: 46 value: -963.9318 mgc: 0.003927745 ustep: 0.1446352 iter: 47 value: -963.9318 mgc: 0.003900608 ustep: 0.1127535 iter: 48 value: -963.9319 mgc: 0.003880318 ustep: 0.3358544 iter: 49 value: -963.9322 mgc: 0.003801443 ustep: 0.5795715 iter: 50 value: -963.9323 mgc: 0.003598698 ustep: 0.3009705 iter: 51 value: -963.9325 mgc: 0.003536435 ustep: 0.5486529 iter: 52 value: -963.9325 mgc: 0.003368728 ustep: 0.1552178 iter: 53 value: -963.9326 mgc: 0.003343562 ustep: 0.3940376 iter: 54 value: -963.9327 mgc: 0.003256739 ustep: 0.3898474 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.00317354 outer mgc: 0.04681888 iter: 1 value: -87.14516 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0091 mgc: 3386.081 ustep: 0.002381288 iter: 3 value: -389.59 mgc: 34.4792 ustep: 0.04889356 iter: 4 value: -450.2651 mgc: 817.5946 ustep: 0.03075696 iter: 5 value: -577.641 mgc: 44.31882 ustep: 0.09194845 iter: 6 value: -626.3529 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4772 mgc: 20.72661 ustep: 0.2102126 iter: 8 value: -796.3788 mgc: 1908.262 ustep: 0.07379655 iter: 9 value: -863.0268 mgc: 5.323906 ustep: 0.271728 iter: 10 value: -869.1778 mgc: 607.5183 ustep: 0.01143812 iter: 11 value: -884.0244 mgc: 3.409514 ustep: 0.1070385 iter: 12 value: -915.384 mgc: 49.77536 ustep: 0.3272346 iter: 13 value: -918.8005 mgc: 130.8823 ustep: 0.05164717 iter: 14 value: -929.3911 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1641 mgc: 83.06476 ustep: 0.4768514 iter: 16 value: -945.1098 mgc: 230.5786 ustep: 0.03597378 iter: 17 value: -947.7962 mgc: 3.260567 ustep: 0.1897486 iter: 18 value: -952.8167 mgc: 85.3401 ustep: 0.4356578 iter: 19 value: -953.3778 mgc: 155.2303 ustep: 0.06518725 iter: 20 value: -954.9994 mgc: 7.277382 ustep: 0.2553924 iter: 21 value: -957.7359 mgc: 130.6371 ustep: 0.5054131 iter: 22 value: -958.2382 mgc: 85.01658 ustep: 0.1436613 iter: 23 value: -959.325 mgc: 33.27764 ustep: 0.3790889 iter: 24 value: -960.1879 mgc: 210.8109 ustep: 0.3800752 iter: 25 value: -961.0674 mgc: 28.33755 ustep: 0.6165407 iter: 26 value: -961.5877 mgc: 520.0146 ustep: 0.09161564 iter: 27 value: -961.8749 mgc: 3.787517 ustep: 0.3027505 iter: 28 value: -962.384 mgc: 134.9444 ustep: 0.5502726 iter: 29 value: -962.8766 mgc: 35.06709 ustep: 0.7418295 iter: 30 value: -963.0847 mgc: 280.4056 ustep: 0.3896537 iter: 31 value: -963.2238 mgc: 7.38893 ustep: 0.6242601 iter: 32 value: -963.4082 mgc: 279.7648 ustep: 0.5418217 iter: 33 value: -963.5154 mgc: 2.780447 ustep: 0.7361118 iter: 34 value: -963.6362 mgc: 209.3551 ustep: 0.6230873 iter: 35 value: -963.7207 mgc: 0.9145659 ustep: 0.7893798 iter: 36 value: -963.8254 mgc: 87.37498 ustep: 0.8884817 iter: 37 value: -963.8363 mgc: 1.64728 ustep: 0.5103966 iter: 38 value: -963.8554 mgc: 7.037324 ustep: 0.714449 iter: 39 value: -963.8595 mgc: 3.193187 ustep: 0.3727286 iter: 40 value: -963.8633 mgc: 0.2401796 ustep: 0.3759063 iter: 41 value: -963.872 mgc: 0.1350904 ustep: 0.6131507 iter: 42 value: -963.8731 mgc: 0.3429314 ustep: 0.1738215 iter: 43 value: -963.8747 mgc: 0.01756606 ustep: 0.2364172 iter: 44 value: -963.8767 mgc: 0.01723379 ustep: 0.2832283 iter: 45 value: -963.8788 mgc: 0.01682196 ustep: 0.3160376 iter: 46 value: -963.8811 mgc: 0.01646349 ustep: 0.3383137 iter: 47 value: -963.8822 mgc: 0.01611287 ustep: 0.1957387 iter: 48 value: -963.8828 mgc: 0.01594807 ustep: 0.1358693 iter: 49 value: -963.8839 mgc: 0.01584247 ustep: 0.2054152 iter: 50 value: -963.8871 mgc: 0.01567113 ustep: 0.4532822 iter: 51 value: -963.894 mgc: 0.02134408 ustep: 0.6732951 iter: 52 value: -963.898 mgc: 0.06601671 ustep: 0.5763429 iter: 53 value: -963.9007 mgc: 0.01814723 ustep: 0.5092319 iter: 54 value: -963.9028 mgc: 0.01266589 ustep: 0.4648213 iter: 55 value: -963.9045 mgc: 0.01222992 ustep: 0.4358729 iter: 56 value: -963.9052 mgc: 0.01185475 ustep: 0.2364775 iter: 57 value: -963.9061 mgc: 0.01170636 ustep: 0.2832715 iter: 58 value: -963.9063 mgc: 0.01152017 ustep: 0.09058481 iter: 59 value: -963.9071 mgc: 0.01147345 ustep: 0.301043 iter: 60 value: -963.9076 mgc: 0.01127508 ustep: 0.1803434 iter: 61 value: -963.9089 mgc: 0.01117469 ustep: 0.4247261 iter: 62 value: -963.9095 mgc: 0.01084802 ustep: 0.2317501 iter: 63 value: -963.9101 mgc: 0.01071623 ustep: 0.2798721 iter: 64 value: -963.9102 mgc: 0.01054916 ustep: 0.04595609 iter: 65 value: -963.9107 mgc: 0.0105285 ustep: 0.2144523 iter: 66 value: -963.9113 mgc: 0.0104127 ustep: 0.2672684 iter: 67 value: -963.912 mgc: 0.01026031 ustep: 0.3050079 iter: 68 value: -963.9127 mgc: 0.01008023 ustep: 0.330878 iter: 69 value: -963.9145 mgc: 0.009881393 ustep: 0.5752624 iter: 70 value: -963.9151 mgc: 0.009365451 ustep: 0.2989046 iter: 71 value: -963.9157 mgc: 0.009205825 ustep: 0.3267415 iter: 72 value: -963.9172 mgc: 0.009027645 ustep: 0.5716559 iter: 73 value: -963.9174 mgc: 0.008562823 ustep: 0.1616423 iter: 74 value: -963.9181 mgc: 0.00849619 ustep: 0.4021075 iter: 75 value: -963.9196 mgc: 0.008269914 ustep: 0.634156 iter: 76 value: -963.9206 mgc: 0.007724741 ustep: 0.5486797 iter: 77 value: -963.9225 mgc: 0.007360178 ustep: 0.7407551 iter: 78 value: -963.9226 mgc: 0.006595383 ustep: 0.1158466 iter: 79 value: -963.9229 mgc: 0.00656056 ustep: 0.3404285 iter: 80 value: -963.923 mgc: 0.006426085 ustep: 0.1966122 iter: 81 value: -963.9231 mgc: 0.006362924 ustep: 0.07061225 iter: 82 value: -963.9233 mgc: 0.006343373 ustep: 0.2658031 iter: 83 value: -963.9235 mgc: 0.006251508 ustep: 0.3039878 iter: 84 value: -963.9241 mgc: 0.006142537 ustep: 0.5513958 iter: 85 value: -963.9252 mgc: 0.005849923 ustep: 0.742586 iter: 86 value: -963.9253 mgc: 0.005233146 ustep: 0.2190409 iter: 87 value: -963.9255 mgc: 0.005173835 ustep: 0.2706385 iter: 88 value: -963.9258 mgc: 0.005096497 ustep: 0.5202772 iter: 89 value: -963.9259 mgc: 0.004879742 ustep: 0.1475643 iter: 90 value: -963.9259 mgc: 0.00484538 ustep: 0.1141279 iter: 91 value: -963.926 mgc: 0.004819936 ustep: 0.1862827 iter: 92 value: -963.9261 mgc: 0.00477513 ustep: 0.2460932 iter: 93 value: -963.9261 mgc: 0.004712056 ustep: 0.08208517 iter: 94 value: -963.9262 mgc: 0.004694837 ustep: 0.2865764 iter: 95 value: -963.9266 mgc: 0.004618705 ustep: 0.5353748 iter: 96 value: -963.9272 mgc: 0.004409874 ustep: 0.7317199 iter: 97 value: -963.9275 mgc: 0.003964123 ustep: 0.6197023 iter: 98 value: -963.9277 mgc: 0.00371413 ustep: 0.5386794 iter: 99 value: -963.9277 mgc: 0.003543013 ustep: 0.2817622 iter: 100 value: -963.9277 mgc: 0.003486417 ustep: 0.1723538 iter: 101 value: -963.9278 mgc: 0.003456623 ustep: 0.06484387 iter: 102 value: -963.9278 mgc: 0.00344673 ustep: 0.2547191 iter: 103 value: -963.928 mgc: 0.003398629 ustep: 0.5047466 iter: 104 value: -963.9281 mgc: 0.003260854 ustep: 0.461887 iter: 105 value: -963.9281 mgc: 0.003148707 ustep: 0.247623 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.00310627 outer mgc: 0.0470215 iter: 1 value: -87.14621 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0119 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5926 mgc: 34.48093 ustep: 0.04889356 iter: 4 value: -450.2677 mgc: 817.594 ustep: 0.03075696 iter: 5 value: -577.644 mgc: 44.31892 ustep: 0.09194845 iter: 6 value: -626.356 mgc: 1128.719 ustep: 0.04415613 iter: 7 value: -761.4811 mgc: 20.72688 ustep: 0.2102126 iter: 8 value: -796.3829 mgc: 1908.275 ustep: 0.07379655 iter: 9 value: -863.0321 mgc: 5.323974 ustep: 0.271728 iter: 10 value: -869.1826 mgc: 607.5204 ustep: 0.01143812 iter: 11 value: -884.0295 mgc: 3.40956 ustep: 0.1070385 iter: 12 value: -915.3894 mgc: 49.77534 ustep: 0.3272346 iter: 13 value: -918.8059 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3965 mgc: 12.03843 ustep: 0.2273374 iter: 15 value: -944.1696 mgc: 83.06457 ustep: 0.4768514 iter: 16 value: -945.1153 mgc: 230.5818 ustep: 0.03597378 iter: 17 value: -947.8017 mgc: 3.260753 ustep: 0.1897486 iter: 18 value: -952.8222 mgc: 85.34155 ustep: 0.4356578 iter: 19 value: -953.3833 mgc: 155.2311 ustep: 0.06518725 iter: 20 value: -955.0049 mgc: 7.277468 ustep: 0.2553924 iter: 21 value: -957.7413 mgc: 130.6393 ustep: 0.5054131 iter: 22 value: -958.2437 mgc: 85.01661 ustep: 0.1436613 iter: 23 value: -959.3304 mgc: 33.27819 ustep: 0.3790889 iter: 24 value: -960.1934 mgc: 210.8128 ustep: 0.3800752 iter: 25 value: -961.0729 mgc: 28.33766 ustep: 0.6165407 iter: 26 value: -961.5931 mgc: 520.0186 ustep: 0.09161564 iter: 27 value: -961.8803 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3894 mgc: 134.9449 ustep: 0.5502726 iter: 29 value: -962.882 mgc: 35.06706 ustep: 0.7418295 iter: 30 value: -963.0901 mgc: 280.4059 ustep: 0.3896537 iter: 31 value: -963.2292 mgc: 7.388925 ustep: 0.6242601 iter: 32 value: -963.4136 mgc: 279.7646 ustep: 0.5418217 iter: 33 value: -963.5208 mgc: 2.780426 ustep: 0.7361118 iter: 34 value: -963.6416 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7262 mgc: 0.9145364 ustep: 0.7893798 iter: 36 value: -963.8308 mgc: 87.37489 ustep: 0.8884817 iter: 37 value: -963.8996 mgc: 1.647261 ustep: 0.9425988 iter: 38 value: -963.9057 mgc: 34.51468 ustep: 0.5867415 iter: 39 value: -963.9084 mgc: 0.1265376 ustep: 0.5162273 iter: 40 value: -963.9104 mgc: 0.1491886 ustep: 0.4694041 iter: 41 value: -963.9106 mgc: 0.03746897 ustep: 0.06965305 iter: 42 value: -963.9113 mgc: 0.01163886 ustep: 0.2639922 iter: 43 value: -963.9134 mgc: 0.0114662 ustep: 0.5138504 iter: 44 value: -963.915 mgc: 0.01879434 ustep: 0.467846 iter: 45 value: -963.9184 mgc: 0.01059474 ustep: 0.6840243 iter: 46 value: -963.9237 mgc: 0.02433398 ustep: 0.8270749 iter: 47 value: -963.9295 mgc: 0.03126753 ustep: 0.9094456 iter: 48 value: -963.93 mgc: 0.01594533 ustep: 0.5358759 iter: 49 value: -963.9301 mgc: 0.005500699 ustep: 0.1517369 iter: 50 value: -963.9302 mgc: 0.005460676 ustep: 0.1160733 iter: 51 value: -963.9302 mgc: 0.005431451 ustep: 0.09890519 iter: 52 value: -963.9303 mgc: 0.005407133 ustep: 0.09008444 iter: 53 value: -963.9303 mgc: 0.005385286 ustep: 0.1634495 iter: 54 value: -963.9306 mgc: 0.005342511 ustep: 0.4043485 iter: 55 value: -963.9307 mgc: 0.005197893 ustep: 0.2231703 iter: 56 value: -963.9308 mgc: 0.005137397 ustep: 0.2736544 iter: 57 value: -963.931 mgc: 0.005059255 ustep: 0.3094385 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.004967977 outer mgc: 0.04688401 iter: 1 value: -87.29753 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.04 mgc: 3385.661 ustep: 0.002381288 iter: 3 value: -389.6169 mgc: 34.46612 ustep: 0.04889356 iter: 4 value: -450.2895 mgc: 817.4133 ustep: 0.03075696 iter: 5 value: -577.6602 mgc: 44.32234 ustep: 0.09194845 iter: 6 value: -626.3694 mgc: 1128.457 ustep: 0.04415613 iter: 7 value: -761.4875 mgc: 20.73004 ustep: 0.2102126 iter: 8 value: -796.3856 mgc: 1907.791 ustep: 0.07379655 iter: 9 value: -863.0297 mgc: 5.32259 ustep: 0.271728 iter: 10 value: -869.1796 mgc: 607.4188 ustep: 0.01143812 iter: 11 value: -884.0253 mgc: 3.408761 ustep: 0.1070385 iter: 12 value: -915.3828 mgc: 49.77673 ustep: 0.3272346 iter: 13 value: -918.7991 mgc: 130.8827 ustep: 0.05164717 iter: 14 value: -929.3889 mgc: 12.03889 ustep: 0.2273374 iter: 15 value: -944.1616 mgc: 83.07818 ustep: 0.4768514 iter: 16 value: -945.1074 mgc: 230.5025 ustep: 0.03597378 iter: 17 value: -947.7938 mgc: 3.260742 ustep: 0.1897486 iter: 18 value: -952.8144 mgc: 85.35016 ustep: 0.4356578 iter: 19 value: -953.3755 mgc: 155.2126 ustep: 0.06518725 iter: 20 value: -954.9972 mgc: 7.277441 ustep: 0.2553924 iter: 21 value: -957.7337 mgc: 130.587 ustep: 0.5054131 iter: 22 value: -958.2361 mgc: 85.02642 ustep: 0.1436613 iter: 23 value: -959.3229 mgc: 33.26167 ustep: 0.3790889 iter: 24 value: -960.1858 mgc: 210.7894 ustep: 0.3800752 iter: 25 value: -961.0654 mgc: 28.33025 ustep: 0.6165407 iter: 26 value: -961.5856 mgc: 519.949 ustep: 0.09161564 iter: 27 value: -961.8729 mgc: 3.786689 ustep: 0.3027505 iter: 28 value: -962.382 mgc: 134.8971 ustep: 0.5502726 iter: 29 value: -962.8746 mgc: 35.07525 ustep: 0.7418295 iter: 30 value: -963.0827 mgc: 280.2743 ustep: 0.3896537 iter: 31 value: -963.2218 mgc: 7.392929 ustep: 0.6242601 iter: 32 value: -963.4061 mgc: 279.6718 ustep: 0.5418217 iter: 33 value: -963.5134 mgc: 2.782597 ustep: 0.7361118 iter: 34 value: -963.6341 mgc: 209.3187 ustep: 0.6230873 iter: 35 value: -963.7187 mgc: 0.9154642 ustep: 0.7893798 iter: 36 value: -963.8234 mgc: 87.37942 ustep: 0.8884817 iter: 37 value: -963.8921 mgc: 1.647227 ustep: 0.9425988 iter: 38 value: -963.922 mgc: 34.52594 ustep: 0.9708782 iter: 39 value: -963.9271 mgc: 0.4132842 ustep: 0.985333 iter: 40 value: -963.9275 mgc: 1.102986 ustep: 0.9926401 iter: 41 value: -963.9275 mgc: 0.003831419 ustep: 0.2951939 iter: 42 value: -963.9275 mgc: 0.0002206487 ustep: 0.5433632 iter: 43 value: -963.9275 mgc: 0.0002101931 ustep: 0.737158 iter: 44 value: -963.9275 mgc: 0.0001880957 ustep: 0.2168364 iter: 45 value: -963.9275 mgc: 0.0001859387 ustep: 0.1450129 iter: 46 value: -963.9275 mgc: 0.0001846266 ustep: 0.213129 iter: 47 value: -963.9275 mgc: 0.0001825541 ustep: 0.2662928 iter: 48 value: -963.9275 mgc: 0.000179818 ustep: 0.08670845 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.0001791051 outer mgc: 0.09941648 iter: 1 value: -86.99336 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -274.9809 mgc: 3386.503 ustep: 0.002381288 iter: 3 value: -389.5657 mgc: 34.49402 ustep: 0.04889356 iter: 4 value: -450.2433 mgc: 817.7757 ustep: 0.03075696 iter: 5 value: -577.6246 mgc: 44.31539 ustep: 0.09194845 iter: 6 value: -626.3394 mgc: 1128.98 ustep: 0.04415613 iter: 7 value: -761.4707 mgc: 20.72344 ustep: 0.2102126 iter: 8 value: -796.376 mgc: 1908.746 ustep: 0.07379655 iter: 9 value: -863.0291 mgc: 5.325291 ustep: 0.271728 iter: 10 value: -869.1807 mgc: 607.6193 ustep: 0.01143812 iter: 11 value: -884.0286 mgc: 3.410314 ustep: 0.1070385 iter: 12 value: -915.3906 mgc: 49.77397 ustep: 0.3272346 iter: 13 value: -918.8074 mgc: 130.8818 ustep: 0.05164717 iter: 14 value: -929.3987 mgc: 12.03799 ustep: 0.2273374 iter: 15 value: -944.172 mgc: 83.05118 ustep: 0.4768514 iter: 16 value: -945.1177 mgc: 230.6578 ustep: 0.03597378 iter: 17 value: -947.8041 mgc: 3.260579 ustep: 0.1897486 iter: 18 value: -952.8245 mgc: 85.33149 ustep: 0.4356578 iter: 19 value: -953.3856 mgc: 155.2487 ustep: 0.06518725 iter: 20 value: -955.0072 mgc: 7.277411 ustep: 0.2553924 iter: 21 value: -957.7434 mgc: 130.6894 ustep: 0.5054131 iter: 22 value: -958.2458 mgc: 85.00673 ustep: 0.1436613 iter: 23 value: -959.3325 mgc: 33.29418 ustep: 0.3790889 iter: 24 value: -960.1954 mgc: 210.8342 ustep: 0.3800752 iter: 25 value: -961.0748 mgc: 28.34497 ustep: 0.6165407 iter: 26 value: -961.5951 mgc: 520.0839 ustep: 0.09161564 iter: 27 value: -961.8823 mgc: 3.788348 ustep: 0.3027505 iter: 28 value: -962.3914 mgc: 134.9922 ustep: 0.5502726 iter: 29 value: -962.8839 mgc: 35.0589 ustep: 0.7418295 iter: 30 value: -963.0921 mgc: 280.5373 ustep: 0.3896537 iter: 31 value: -963.1954 mgc: 7.384929 ustep: 0.386985 iter: 32 value: -963.3666 mgc: 110.4882 ustep: 0.622119 iter: 33 value: -963.5451 mgc: 19.22774 ustep: 0.7887663 iter: 34 value: -963.743 mgc: 159.706 ustep: 0.8881364 iter: 35 value: -963.8235 mgc: 6.186466 ustep: 0.9424156 iter: 36 value: -963.8704 mgc: 201.0031 ustep: 0.8289898 iter: 37 value: -963.8992 mgc: 69.54123 ustep: 0.4529269 iter: 38 value: -963.9045 mgc: 30.32959 ustep: 0.4281453 iter: 39 value: -963.9059 mgc: 6.692991 ustep: 0.2331974 iter: 40 value: -963.9063 mgc: 0.2125352 ustep: 0.07912069 iter: 41 value: -963.9069 mgc: 0.03329409 ustep: 0.152256 iter: 42 value: -963.9079 mgc: 0.07802804 ustep: 0.2191202 iter: 43 value: -963.908 mgc: 0.1268351 ustep: 0.03867791 iter: 44 value: -963.9088 mgc: 0.01806817 ustep: 0.1967473 iter: 45 value: -963.9098 mgc: 0.06518392 ustep: 0.2540642 iter: 46 value: -963.9125 mgc: 0.08918958 ustep: 0.5040974 iter: 47 value: -963.9126 mgc: 0.3580394 ustep: 0.07442195 iter: 48 value: -963.9135 mgc: 0.01149971 ustep: 0.2728766 iter: 49 value: -963.914 mgc: 0.03155466 ustep: 0.168659 iter: 50 value: -963.9146 mgc: 0.01122574 ustep: 0.2323441 iter: 51 value: -963.915 mgc: 0.0123776 ustep: 0.1516336 iter: 52 value: -963.9156 mgc: 0.01100306 ustep: 0.2186093 iter: 53 value: -963.9163 mgc: 0.01087604 ustep: 0.2703223 iter: 54 value: -963.9182 mgc: 0.01071073 ustep: 0.5199733 iter: 55 value: -963.922 mgc: 0.04226287 ustep: 0.7211196 iter: 56 value: -963.9274 mgc: 0.06090772 ustep: 0.8492027 iter: 57 value: -963.9328 mgc: 0.04769613 ustep: 0.9215298 iter: 58 value: -963.936 mgc: 0.02116792 ustep: 0.9599674 iter: 59 value: -963.936 mgc: 0.00288787 ustep: 0.216235 iter: 60 value: -963.936 mgc: 0.002525914 ustep: 0.07519771 iter: 61 value: -963.936 mgc: 0.002517484 ustep: 0.2742946 iter: 62 value: -963.9361 mgc: 0.002478881 ustep: 0.523779 iter: 63 value: -963.9361 mgc: 0.002371289 ustep: 0.2749628 iter: 64 value: -963.9362 mgc: 0.002334747 ustep: 0.5244165 iter: 65 value: -963.9363 mgc: 0.002232999 ustep: 0.4747798 iter: 66 value: -963.9363 mgc: 0.002152512 ustep: 0.2532138 iter: 67 value: -963.9363 mgc: 0.002122728 ustep: 0.2951678 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.002086553 outer mgc: 0.0996018 iter: 1 value: -87.43611 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.1262 mgc: 3384.743 ustep: 0.002381288 iter: 3 value: -389.6653 mgc: 34.44744 ustep: 0.04889356 iter: 4 value: -450.3198 mgc: 817.1559 ustep: 0.03075696 iter: 5 value: -577.6592 mgc: 44.29403 ustep: 0.09194845 iter: 6 value: -626.3587 mgc: 1128.093 ustep: 0.04415613 iter: 7 value: -761.4636 mgc: 20.72923 ustep: 0.2102126 iter: 8 value: -796.3597 mgc: 1907.719 ustep: 0.07379655 iter: 9 value: -863.0045 mgc: 5.325003 ustep: 0.271728 iter: 10 value: -869.1588 mgc: 607.8917 ustep: 0.01143812 iter: 11 value: -884.0064 mgc: 3.412285 ustep: 0.1070385 iter: 12 value: -915.3708 mgc: 49.77713 ustep: 0.3272346 iter: 13 value: -918.7877 mgc: 130.8209 ustep: 0.05164717 iter: 14 value: -929.3805 mgc: 12.03873 ustep: 0.2273374 iter: 15 value: -944.1573 mgc: 82.98314 ustep: 0.4768514 iter: 16 value: -945.1031 mgc: 230.549 ustep: 0.03597378 iter: 17 value: -947.7901 mgc: 3.259835 ustep: 0.1897486 iter: 18 value: -952.8118 mgc: 85.34072 ustep: 0.4356578 iter: 19 value: -953.373 mgc: 155.2389 ustep: 0.06518725 iter: 20 value: -954.995 mgc: 7.277803 ustep: 0.2553924 iter: 21 value: -957.732 mgc: 130.571 ustep: 0.5054131 iter: 22 value: -958.2344 mgc: 85.03741 ustep: 0.1436613 iter: 23 value: -959.3214 mgc: 33.25837 ustep: 0.3790889 iter: 24 value: -960.1844 mgc: 210.8069 ustep: 0.3800752 iter: 25 value: -961.0641 mgc: 28.32838 ustep: 0.6165407 iter: 26 value: -961.5844 mgc: 520.0281 ustep: 0.09161564 iter: 27 value: -961.8717 mgc: 3.786525 ustep: 0.3027505 iter: 28 value: -962.3809 mgc: 134.9132 ustep: 0.5502726 iter: 29 value: -962.8735 mgc: 35.07292 ustep: 0.7418295 iter: 30 value: -963.0816 mgc: 280.3403 ustep: 0.3896537 iter: 31 value: -963.2207 mgc: 7.391354 ustep: 0.6242601 iter: 32 value: -963.4051 mgc: 279.7455 ustep: 0.5418217 iter: 33 value: -963.5123 mgc: 2.781549 ustep: 0.7361118 iter: 34 value: -963.6331 mgc: 209.3671 ustep: 0.6230873 iter: 35 value: -963.6727 mgc: 0.9147566 ustep: 0.5410122 iter: 36 value: -963.7356 mgc: 31.03584 ustep: 0.7355617 iter: 37 value: -963.7484 mgc: 8.358682 ustep: 0.3856832 iter: 38 value: -963.7497 mgc: 3.095039 ustep: 0.05882217 iter: 39 value: -963.7556 mgc: 0.05039016 ustep: 0.2426086 iter: 40 value: -963.759 mgc: 0.5882197 ustep: 0.1559783 iter: 41 value: -963.7698 mgc: 0.1437141 ustep: 0.3950014 iter: 42 value: -963.7932 mgc: 0.8763228 ustep: 0.6285286 iter: 43 value: -963.796 mgc: 2.247524 ustep: 0.1785583 iter: 44 value: -963.7979 mgc: 0.03932964 ustep: 0.1282764 iter: 45 value: -963.8046 mgc: 0.03019495 ustep: 0.3582211 iter: 46 value: -963.8202 mgc: 0.1674051 ustep: 0.5985559 iter: 47 value: -963.8222 mgc: 0.6605142 ustep: 0.1694431 iter: 48 value: -963.8236 mgc: 0.02609625 ustep: 0.1241824 iter: 49 value: -963.8259 mgc: 0.02585316 ustep: 0.1952818 iter: 50 value: -963.8291 mgc: 0.02544549 ustep: 0.2529558 iter: 51 value: -963.8376 mgc: 0.02489231 ustep: 0.5029968 iter: 52 value: -963.8546 mgc: 0.1464655 ustep: 0.7092518 iter: 53 value: -963.8635 mgc: 0.3846464 ustep: 0.6026824 iter: 54 value: -963.8794 mgc: 0.08923518 ustep: 0.7763486 iter: 55 value: -963.8998 mgc: 0.1680427 ustep: 0.8811184 iter: 56 value: -963.9001 mgc: 0.127832 ustep: 0.08348881 iter: 57 value: -963.9005 mgc: 0.01217317 ustep: 0.1567853 iter: 58 value: -963.9011 mgc: 0.01208107 ustep: 0.2228173 iter: 59 value: -963.903 mgc: 0.01194081 ustep: 0.472088 iter: 60 value: -963.907 mgc: 0.01151959 ustep: 0.6871179 iter: 61 value: -963.9074 mgc: 0.01057281 ustep: 0.1979881 iter: 62 value: -963.9077 mgc: 0.01046747 ustep: 0.1368529 iter: 63 value: -963.9086 mgc: 0.01040026 ustep: 0.3699993 iter: 64 value: -963.909 mgc: 0.01015728 ustep: 0.2088502 iter: 65 value: -963.9103 mgc: 0.01004925 ustep: 0.4570556 iter: 66 value: -963.9129 mgc: 0.009716329 ustep: 0.6760913 iter: 67 value: -963.9135 mgc: 0.008955728 ustep: 0.3506241 iter: 68 value: -963.9138 mgc: 0.00876321 ustep: 0.2008259 iter: 69 value: -963.9142 mgc: 0.008674519 ustep: 0.2571359 iter: 70 value: -963.9143 mgc: 0.008554044 ustep: 0.08461494 iter: 71 value: -963.9145 mgc: 0.008521992 ustep: 0.1579375 iter: 72 value: -963.9148 mgc: 0.008457447 ustep: 0.223752 iter: 73 value: -963.9151 mgc: 0.008359398 ustep: 0.274078 iter: 74 value: -963.9156 mgc: 0.008232902 ustep: 0.3097315 iter: 75 value: -963.9167 mgc: 0.008085243 ustep: 0.5565797 iter: 76 value: -963.9168 mgc: 0.007692063 ustep: 0.157408 iter: 77 value: -963.917 mgc: 0.007633982 ustep: 0.1186952 iter: 78 value: -963.9174 mgc: 0.007592335 ustep: 0.3445872 iter: 79 value: -963.9175 mgc: 0.00743312 ustep: 0.1046295 iter: 80 value: -963.9178 mgc: 0.007397898 ustep: 0.3235325 iter: 81 value: -963.918 mgc: 0.007256456 ustep: 0.1896352 iter: 82 value: -963.9186 mgc: 0.007187893 ustep: 0.4355277 iter: 83 value: -963.919 mgc: 0.006970423 ustep: 0.4168453 iter: 84 value: -963.9201 mgc: 0.006774465 ustep: 0.645671 iter: 85 value: -963.9219 mgc: 0.006307998 ustep: 0.8035562 iter: 86 value: -963.9226 mgc: 0.005405764 ustep: 0.6780989 iter: 87 value: -963.9238 mgc: 0.004976772 ustep: 0.8234853 iter: 88 value: -963.924 mgc: 0.00417546 ustep: 0.4483604 iter: 89 value: -963.9241 mgc: 0.004040237 ustep: 0.2418066 iter: 90 value: -963.9242 mgc: 0.003987844 ustep: 0.2870822 iter: 91 value: -963.9242 mgc: 0.003922736 ustep: 0.1745617 iter: 92 value: -963.9243 mgc: 0.00388883 ustep: 0.2369979 iter: 93 value: -963.9243 mgc: 0.003839641 ustep: 0.1536068 iter: 94 value: -963.9243 mgc: 0.003811108 ustep: 0.2202267 iter: 95 value: -963.9244 mgc: 0.003767201 ustep: 0.2715061 iter: 96 value: -963.9244 mgc: 0.003710112 ustep: 0.08789921 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.003695406 outer mgc: 0.05228549 iter: 1 value: -86.85445 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -274.8947 mgc: 3387.425 ustep: 0.002381288 iter: 3 value: -389.5174 mgc: 34.51275 ustep: 0.04889356 iter: 4 value: -450.2131 mgc: 818.0335 ustep: 0.03075696 iter: 5 value: -577.6259 mgc: 44.34372 ustep: 0.09194845 iter: 6 value: -626.3504 mgc: 1129.344 ustep: 0.04415613 iter: 7 value: -761.4947 mgc: 20.72423 ustep: 0.2102126 iter: 8 value: -796.402 mgc: 1908.815 ustep: 0.07379655 iter: 9 value: -863.0543 mgc: 5.322863 ustep: 0.271728 iter: 10 value: -869.2016 mgc: 607.1451 ustep: 0.01143812 iter: 11 value: -884.0475 mgc: 3.406782 ustep: 0.1070385 iter: 12 value: -915.4026 mgc: 49.77358 ustep: 0.3272346 iter: 13 value: -918.8188 mgc: 130.9432 ustep: 0.05164717 iter: 14 value: -929.4071 mgc: 12.03815 ustep: 0.2273374 iter: 15 value: -944.1763 mgc: 83.14617 ustep: 0.4768514 iter: 16 value: -945.1221 mgc: 230.611 ustep: 0.03597378 iter: 17 value: -947.8078 mgc: 3.261481 ustep: 0.1897486 iter: 18 value: -952.8271 mgc: 85.34085 ustep: 0.4356578 iter: 19 value: -953.3881 mgc: 155.2223 ustep: 0.06518725 iter: 20 value: -955.0094 mgc: 7.277039 ustep: 0.2553924 iter: 21 value: -957.7452 mgc: 130.7053 ustep: 0.5054131 iter: 22 value: -958.2475 mgc: 84.99581 ustep: 0.1436613 iter: 23 value: -959.334 mgc: 33.29744 ustep: 0.3790889 iter: 24 value: -960.1968 mgc: 210.8168 ustep: 0.3800752 iter: 25 value: -961.0762 mgc: 28.34681 ustep: 0.6165407 iter: 26 value: -961.5964 mgc: 520.0051 ustep: 0.09161564 iter: 27 value: -961.8836 mgc: 3.788508 ustep: 0.3027505 iter: 28 value: -962.3926 mgc: 134.976 ustep: 0.5502726 iter: 29 value: -962.8851 mgc: 35.06125 ustep: 0.7418295 iter: 30 value: -963.0932 mgc: 280.471 ustep: 0.3896537 iter: 31 value: -963.2323 mgc: 7.38651 ustep: 0.6242601 iter: 32 value: -963.4167 mgc: 279.7838 ustep: 0.5418217 iter: 33 value: -963.5239 mgc: 2.779327 ustep: 0.7361118 iter: 34 value: -963.6446 mgc: 209.3429 ustep: 0.6230873 iter: 35 value: -963.7292 mgc: 0.9143471 ustep: 0.7893798 iter: 36 value: -963.7761 mgc: 87.35795 ustep: 0.6659898 iter: 37 value: -963.7802 mgc: 0.9129913 ustep: 0.1907015 iter: 38 value: -963.7856 mgc: 0.7331808 ustep: 0.2494753 iter: 39 value: -963.7886 mgc: 0.6794609 ustep: 0.1588707 iter: 40 value: -963.7907 mgc: 0.1531848 ustep: 0.1193675 iter: 41 value: -963.7983 mgc: 0.06325287 ustep: 0.3455614 iter: 42 value: -963.8057 mgc: 0.4789544 ustep: 0.3580031 iter: 43 value: -963.813 mgc: 0.3248934 ustep: 0.3662235 iter: 44 value: -963.8295 mgc: 0.2411771 ustep: 0.6052035 iter: 45 value: -963.8402 mgc: 0.8689915 ustep: 0.528747 iter: 46 value: -963.8436 mgc: 0.2969486 ustep: 0.2772191 iter: 47 value: -963.8526 mgc: 0.0327507 ustep: 0.5265633 iter: 48 value: -963.8556 mgc: 0.1733525 ustep: 0.276226 iter: 49 value: -963.8633 mgc: 0.02226793 ustep: 0.5256196 iter: 50 value: -963.8784 mgc: 0.09897076 ustep: 0.7250237 iter: 51 value: -963.9003 mgc: 0.2409456 ustep: 0.8514981 iter: 52 value: -963.9219 mgc: 0.2528702 ustep: 0.9227743 iter: 53 value: -963.9235 mgc: 0.1021666 ustep: 0.554371 iter: 54 value: -963.924 mgc: 0.00917892 ustep: 0.2890323 iter: 55 value: -963.9253 mgc: 0.009029019 ustep: 0.5376635 iter: 56 value: -963.9258 mgc: 0.008619976 ustep: 0.2812955 iter: 57 value: -963.9269 mgc: 0.008484505 ustep: 0.5304199 iter: 58 value: -963.9273 mgc: 0.008110887 ustep: 0.2779812 iter: 59 value: -963.9282 mgc: 0.007985521 ustep: 0.5272865 iter: 60 value: -963.9283 mgc: 0.007638116 ustep: 0.07772826 iter: 61 value: -963.9286 mgc: 0.007611957 ustep: 0.27887 iter: 62 value: -963.9295 mgc: 0.007493789 ustep: 0.5281286 iter: 63 value: -963.9301 mgc: 0.00716663 ustep: 0.4772209 iter: 64 value: -963.9304 mgc: 0.006909293 ustep: 0.2542779 iter: 65 value: -963.9305 mgc: 0.006814475 ustep: 0.1608876 iter: 66 value: -963.9307 mgc: 0.006761568 ustep: 0.2261349 iter: 67 value: -963.9307 mgc: 0.006681874 ustep: 0.07749109 iter: 68 value: -963.9308 mgc: 0.006659043 ustep: 0.07833097 iter: 69 value: -963.931 mgc: 0.006636022 ustep: 0.2799487 iter: 70 value: -963.9317 mgc: 0.006532333 ustep: 0.5291489 iter: 71 value: -963.9321 mgc: 0.006246839 ustep: 0.4778923 iter: 72 value: -963.9323 mgc: 0.006023283 ustep: 0.2545709 iter: 73 value: -963.9328 mgc: 0.005940968 ustep: 0.5045997 iter: 74 value: -963.9338 mgc: 0.005704845 ustep: 0.7103808 iter: 75 value: -963.934 mgc: 0.005186153 ustep: 0.3703015 iter: 76 value: -963.9341 mgc: 0.005064605 ustep: 0.2089756 iter: 77 value: -963.9342 mgc: 0.005010561 ustep: 0.2632192 iter: 78 value: -963.9342 mgc: 0.004938491 ustep: 0.08600607 iter: 79 value: -963.9343 mgc: 0.004919578 ustep: 0.2933386 iter: 80 value: -963.9344 mgc: 0.004837488 ustep: 0.09288245 iter: 81 value: -963.9344 mgc: 0.004817321 ustep: 0.1662183 iter: 82 value: -963.9346 mgc: 0.004778362 ustep: 0.407758 iter: 83 value: -963.9351 mgc: 0.004647372 ustep: 0.6385954 iter: 84 value: -963.9352 mgc: 0.004333196 ustep: 0.3304692 iter: 85 value: -963.9353 mgc: 0.00424712 ustep: 0.1924992 iter: 86 value: -963.9355 mgc: 0.004205938 ustep: 0.4388035 iter: 87 value: -963.9355 mgc: 0.004074933 ustep: 0.06559718 iter: 88 value: -963.9355 mgc: 0.004063204 ustep: 0.2561938 iter: 89 value: -963.9358 mgc: 0.004006434 ustep: 0.5062053 iter: 90 value: -963.9359 mgc: 0.003844109 ustep: 0.462841 iter: 91 value: -963.936 mgc: 0.003712212 ustep: 0.248035 iter: 92 value: -963.936 mgc: 0.003662377 ustep: 0.2915087 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.003601221 outer mgc: 0.05215086 iter: 1 value: -87.54937 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.2332 mgc: 3383.725 ustep: 0.002381288 iter: 3 value: -389.741 mgc: 34.46535 ustep: 0.04889356 iter: 4 value: -423.3452 mgc: 817.2325 ustep: 0.01549703 iter: 5 value: -589.3934 mgc: 16.02546 ustep: 0.1245746 iter: 6 value: -627.4153 mgc: 2250.392 ustep: 0.02683647 iter: 7 value: -739.9023 mgc: 8.665378 ustep: 0.163902 iter: 8 value: -796.0073 mgc: 1553.349 ustep: 0.1216683 iter: 9 value: -877.1346 mgc: 13.4452 ustep: 0.348875 iter: 10 value: -883.3609 mgc: 528.0355 ustep: 0.01385193 iter: 11 value: -896.3243 mgc: 4.958478 ustep: 0.1177825 iter: 12 value: -922.7678 mgc: 92.64965 ustep: 0.3432602 iter: 13 value: -924.5634 mgc: 113.8123 ustep: 0.02716261 iter: 14 value: -931.1573 mgc: 6.910171 ustep: 0.1648944 iter: 15 value: -943.1433 mgc: 56.62014 ustep: 0.4061313 iter: 16 value: -943.9445 mgc: 179.523 ustep: 0.0311808 iter: 17 value: -946.6909 mgc: 3.231308 ustep: 0.1766632 iter: 18 value: -952.018 mgc: 62.26462 ustep: 0.4203712 iter: 19 value: -952.6171 mgc: 170.7181 ustep: 0.06321198 iter: 20 value: -954.3831 mgc: 5.560792 ustep: 0.2514948 iter: 21 value: -957.366 mgc: 117.3979 ustep: 0.5015424 iter: 22 value: -957.8992 mgc: 95.02666 ustep: 0.1426559 iter: 23 value: -959.0658 mgc: 29.16901 ustep: 0.3777604 iter: 24 value: -960.6765 mgc: 220.5415 ustep: 0.6146607 iter: 25 value: -960.952 mgc: 45.54357 ustep: 0.1742809 iter: 26 value: -961.4904 mgc: 65.97206 ustep: 0.4175279 iter: 27 value: -961.9101 mgc: 141.8632 ustep: 0.405148 iter: 28 value: -962.4218 mgc: 44.12392 ustep: 0.6365487 iter: 29 value: -962.6286 mgc: 283.7507 ustep: 0.1810827 iter: 30 value: -962.8149 mgc: 7.354266 ustep: 0.4255956 iter: 31 value: -963.1256 mgc: 186.5205 ustep: 0.6524117 iter: 32 value: -963.3156 mgc: 15.27311 ustep: 0.8077393 iter: 33 value: -963.5104 mgc: 350.0674 ustep: 0.4358101 iter: 34 value: -963.5842 mgc: 1.713073 ustep: 0.6601931 iter: 35 value: -963.7166 mgc: 141.0701 ustep: 0.8125414 iter: 36 value: -963.8071 mgc: 2.19213 ustep: 0.9014207 iter: 37 value: -963.8958 mgc: 116.7986 ustep: 0.9494368 iter: 38 value: -963.9202 mgc: 2.759388 ustep: 0.974393 iter: 39 value: -963.9216 mgc: 20.92571 ustep: 0.6628851 iter: 40 value: -963.9216 mgc: 0.02634213 ustep: 0.09980073 iter: 41 value: -963.9217 mgc: 0.004350097 ustep: 0.1729283 iter: 42 value: -963.9219 mgc: 0.004312835 ustep: 0.4159048 iter: 43 value: -963.9223 mgc: 0.004189689 ustep: 0.6449424 iter: 44 value: -963.923 mgc: 0.003897871 ustep: 0.8031027 iter: 45 value: -963.923 mgc: 0.003337202 ustep: 0.2464818 iter: 46 value: -963.9231 mgc: 0.003292837 ustep: 0.2904075 iter: 47 value: -963.9231 mgc: 0.003238252 ustep: 0.3209545 iter: 48 value: -963.9232 mgc: 0.003176413 ustep: 0.1885708 iter: 49 value: -963.9233 mgc: 0.003146297 ustep: 0.4343039 iter: 50 value: -963.9235 mgc: 0.00304984 ustep: 0.6590515 iter: 51 value: -963.9236 mgc: 0.002825514 ustep: 0.3413064 iter: 52 value: -963.9236 mgc: 0.002766844 ustep: 0.3551823 iter: 53 value: -963.9237 mgc: 0.002705809 ustep: 0.3643632 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.002643705 outer mgc: 0.04082515 iter: 1 value: -86.74109 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -274.7875 mgc: 3388.444 ustep: 0.002381288 iter: 3 value: -389.4417 mgc: 34.49482 ustep: 0.04889356 iter: 4 value: -450.1542 mgc: 817.9567 ustep: 0.03075696 iter: 5 value: -577.6003 mgc: 44.3348 ustep: 0.09194845 iter: 6 value: -626.3367 mgc: 1129.297 ustep: 0.04415613 iter: 7 value: -761.5056 mgc: 20.72572 ustep: 0.2102126 iter: 8 value: -796.4147 mgc: 1908.928 ustep: 0.07379655 iter: 9 value: -863.0592 mgc: 5.325202 ustep: 0.271728 iter: 10 value: -869.2141 mgc: 607.1782 ustep: 0.01143812 iter: 11 value: -884.0588 mgc: 3.410711 ustep: 0.1070385 iter: 12 value: -915.4095 mgc: 49.79196 ustep: 0.3272346 iter: 13 value: -918.8255 mgc: 130.9807 ustep: 0.05164717 iter: 14 value: -929.412 mgc: 12.04309 ustep: 0.2273374 iter: 15 value: -944.1794 mgc: 83.21159 ustep: 0.4768514 iter: 16 value: -945.1252 mgc: 230.611 ustep: 0.03597378 iter: 17 value: -947.8107 mgc: 3.263503 ustep: 0.1897486 iter: 18 value: -952.8296 mgc: 85.39385 ustep: 0.4356578 iter: 19 value: -953.3906 mgc: 155.2107 ustep: 0.06518725 iter: 20 value: -955.0118 mgc: 7.281265 ustep: 0.2553924 iter: 21 value: -957.7473 mgc: 130.727 ustep: 0.5054131 iter: 22 value: -958.2496 mgc: 84.98438 ustep: 0.1436613 iter: 23 value: -959.3361 mgc: 33.30346 ustep: 0.3790889 iter: 24 value: -960.1988 mgc: 210.808 ustep: 0.3800752 iter: 25 value: -961.0781 mgc: 28.35008 ustep: 0.6165407 iter: 26 value: -961.5983 mgc: 519.9673 ustep: 0.09161564 iter: 27 value: -961.8854 mgc: 3.788803 ustep: 0.3027505 iter: 28 value: -962.3944 mgc: 134.9772 ustep: 0.5502726 iter: 29 value: -962.8868 mgc: 35.06093 ustep: 0.7418295 iter: 30 value: -963.095 mgc: 280.4676 ustep: 0.3896537 iter: 31 value: -963.234 mgc: 7.386418 ustep: 0.6242601 iter: 32 value: -963.4185 mgc: 279.7731 ustep: 0.5418217 iter: 33 value: -963.5257 mgc: 2.779468 ustep: 0.7361118 iter: 34 value: -963.6464 mgc: 209.3307 ustep: 0.6230873 iter: 35 value: -963.731 mgc: 0.9145715 ustep: 0.7893798 iter: 36 value: -963.8356 mgc: 87.35287 ustep: 0.8884817 iter: 37 value: -963.9044 mgc: 1.647747 ustep: 0.9425988 iter: 38 value: -963.9343 mgc: 34.50193 ustep: 0.9708782 iter: 39 value: -963.9394 mgc: 0.4134047 ustep: 0.985333 iter: 40 value: -963.9394 mgc: 1.101616 ustep: 0.4585435 iter: 41 value: -963.9394 mgc: 0.001438939 ustep: 0.2461808 iter: 42 value: -963.9395 mgc: 0.001419734 ustep: 0.2901939 iter: 43 value: -963.9395 mgc: 0.001396149 ustep: 0.1758517 iter: 44 value: -963.9395 mgc: 0.001384013 ustep: 0.4194048 iter: 45 value: -963.9395 mgc: 0.001344079 ustep: 0.2295022 iter: 46 value: -963.9395 mgc: 0.001327807 ustep: 0.479116 iter: 47 value: -963.9395 mgc: 0.001279347 ustep: 0.2551052 iter: 48 value: -963.9395 mgc: 0.001261548 ustep: 0.5051289 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.001210587 outer mgc: 0.04086806 iter: 1 value: -87.14429 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0092 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5899 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.265 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.641 mgc: 44.31886 ustep: 0.09194845 iter: 6 value: -626.3529 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4775 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3791 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0274 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1784 mgc: 607.5194 ustep: 0.01143812 iter: 11 value: -884.0251 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3848 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8013 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3918 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1647 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1105 mgc: 230.5801 ustep: 0.03597378 iter: 17 value: -947.7969 mgc: 3.260661 ustep: 0.1897486 iter: 18 value: -952.8173 mgc: 85.34087 ustep: 0.4356578 iter: 19 value: -953.3785 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0001 mgc: 7.277431 ustep: 0.2553924 iter: 21 value: -957.7364 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2388 mgc: 85.0166 ustep: 0.1436613 iter: 23 value: -959.3255 mgc: 33.27791 ustep: 0.3790889 iter: 24 value: -960.1885 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.068 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5882 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8754 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3845 mgc: 134.9446 ustep: 0.5502726 iter: 29 value: -962.6796 mgc: 35.06708 ustep: 0.491846 iter: 30 value: -963.067 mgc: 127.9409 ustep: 0.7013472 iter: 31 value: -963.1762 mgc: 41.92784 ustep: 0.3649862 iter: 32 value: -963.3365 mgc: 60.65569 ustep: 0.6041805 iter: 33 value: -963.5322 mgc: 59.58343 ustep: 0.7773127 iter: 34 value: -963.7104 mgc: 61.73162 ustep: 0.8816652 iter: 35 value: -963.8504 mgc: 57.72599 ustep: 0.9389764 iter: 36 value: -963.8787 mgc: 40.96115 ustep: 0.8238808 iter: 37 value: -963.9074 mgc: 29.9523 ustep: 0.907688 iter: 38 value: -963.9237 mgc: 20.09471 ustep: 0.9527314 iter: 39 value: -963.9293 mgc: 12.29948 ustep: 0.976082 iter: 40 value: -963.9297 mgc: 3.998082 ustep: 0.8902288 iter: 41 value: -963.9297 mgc: 0.6008963 ustep: 0.1643243 iter: 42 value: -963.9297 mgc: 0.001851847 ustep: 0.2288927 iter: 43 value: -963.9298 mgc: 0.001707344 ustep: 0.4784795 iter: 44 value: -963.9298 mgc: 0.003607797 ustep: 0.1367524 iter: 45 value: -963.9298 mgc: 0.001480434 ustep: 0.206168 iter: 46 value: -963.9298 mgc: 0.00146469 ustep: 0.2611315 iter: 47 value: -963.9298 mgc: 0.001443567 ustep: 0.08552881 iter: 48 value: -963.9298 mgc: 0.001437998 ustep: 0.1588681 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.001426837 outer mgc: 0.03891991 iter: 1 value: -87.14709 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0118 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5927 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2679 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.644 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.356 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4808 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3825 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0315 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.182 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0288 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3887 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8052 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3958 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1689 mgc: 83.06467 ustep: 0.4768514 iter: 16 value: -945.1147 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.8011 mgc: 3.260659 ustep: 0.1897486 iter: 18 value: -952.8216 mgc: 85.34078 ustep: 0.4356578 iter: 19 value: -953.3827 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0043 mgc: 7.277419 ustep: 0.2553924 iter: 21 value: -957.7407 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2431 mgc: 85.01658 ustep: 0.1436613 iter: 23 value: -959.3299 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1928 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0723 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5926 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8798 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3889 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8815 mgc: 35.06707 ustep: 0.7418295 iter: 30 value: -963.0896 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2287 mgc: 7.388926 ustep: 0.6242601 iter: 32 value: -963.4131 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5203 mgc: 2.780435 ustep: 0.7361118 iter: 34 value: -963.641 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7256 mgc: 0.9145506 ustep: 0.7893798 iter: 36 value: -963.8303 mgc: 87.37491 ustep: 0.8884817 iter: 37 value: -963.8412 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8429 mgc: 7.037314 ustep: 0.1449623 iter: 39 value: -963.8483 mgc: 0.1416073 ustep: 0.3808011 iter: 40 value: -963.8505 mgc: 0.6476577 ustep: 0.2133379 iter: 41 value: -963.8519 mgc: 0.08230263 ustep: 0.1435085 iter: 42 value: -963.8565 mgc: 0.02583845 ustep: 0.3788873 iter: 43 value: -963.8585 mgc: 0.1779793 ustep: 0.2125419 iter: 44 value: -963.861 mgc: 0.02872102 ustep: 0.2658593 iter: 45 value: -963.8624 mgc: 0.03960408 ustep: 0.1657335 iter: 46 value: -963.8644 mgc: 0.02064474 ustep: 0.2300179 iter: 47 value: -963.87 mgc: 0.020568 ustep: 0.4796539 iter: 48 value: -963.872 mgc: 0.1264868 ustep: 0.2553403 iter: 49 value: -963.8775 mgc: 0.01873211 ustep: 0.5053615 iter: 50 value: -963.8794 mgc: 0.09157782 ustep: 0.2666856 iter: 51 value: -963.8815 mgc: 0.01722328 ustep: 0.3046024 iter: 52 value: -963.8838 mgc: 0.01678971 ustep: 0.3306036 iter: 53 value: -963.8862 mgc: 0.01644403 ustep: 0.3480633 iter: 54 value: -963.8867 mgc: 0.01608043 ustep: 0.1054321 iter: 55 value: -963.8887 mgc: 0.01600065 ustep: 0.3247706 iter: 56 value: -963.8937 mgc: 0.01568283 ustep: 0.5699295 iter: 57 value: -963.9029 mgc: 0.03872774 ustep: 0.7549613 iter: 58 value: -963.9047 mgc: 0.08135806 ustep: 0.3981765 iter: 59 value: -963.9064 mgc: 0.0128346 ustep: 0.3925475 iter: 60 value: -963.9079 mgc: 0.01250275 ustep: 0.3888747 iter: 61 value: -963.9085 mgc: 0.01218488 ustep: 0.2167007 iter: 62 value: -963.9104 mgc: 0.01204833 ustep: 0.4655646 iter: 63 value: -963.9106 mgc: 0.01163396 ustep: 0.06913698 iter: 64 value: -963.9109 mgc: 0.01159874 ustep: 0.1415063 iter: 65 value: -963.9115 mgc: 0.01152114 ustep: 0.2101914 iter: 66 value: -963.9118 mgc: 0.01139725 ustep: 0.1421517 iter: 67 value: -963.9123 mgc: 0.01132066 ustep: 0.210734 iter: 68 value: -963.9124 mgc: 0.01119863 ustep: 0.03766472 iter: 69 value: -963.9128 mgc: 0.01118078 ustep: 0.1941546 iter: 70 value: -963.9135 mgc: 0.01107196 ustep: 0.2521016 iter: 71 value: -963.9152 mgc: 0.01092186 ustep: 0.502147 iter: 72 value: -963.9166 mgc: 0.01049091 ustep: 0.4601878 iter: 73 value: -963.9171 mgc: 0.01013912 ustep: 0.2468896 iter: 74 value: -963.9185 mgc: 0.01000566 ustep: 0.4969302 iter: 75 value: -963.9187 mgc: 0.009619197 ustep: 0.1414636 iter: 76 value: -963.9195 mgc: 0.009555165 ustep: 0.3761788 iter: 77 value: -963.9197 mgc: 0.009326471 ustep: 0.1119663 iter: 78 value: -963.9203 mgc: 0.0092789 ustep: 0.3346802 iter: 79 value: -963.9219 mgc: 0.009092918 ustep: 0.5785577 iter: 80 value: -963.9248 mgc: 0.00861212 ustep: 0.7606537 iter: 81 value: -963.9249 mgc: 0.00762526 ustep: 0.1205838 iter: 82 value: -963.925 mgc: 0.007582915 ustep: 0.1011533 iter: 83 value: -963.9253 mgc: 0.007548317 ustep: 0.3181143 iter: 84 value: -963.9254 mgc: 0.007407533 ustep: 0.09854572 iter: 85 value: -963.9258 mgc: 0.007374688 ustep: 0.3139885 iter: 86 value: -963.9258 mgc: 0.007239649 ustep: 0.05004825 iter: 87 value: -963.926 mgc: 0.007224138 ustep: 0.2237923 iter: 88 value: -963.9267 mgc: 0.007140518 ustep: 0.4731196 iter: 89 value: -963.9268 mgc: 0.006890346 ustep: 0.1354005 iter: 90 value: -963.9271 mgc: 0.006846978 ustep: 0.3680313 iter: 91 value: -963.9272 mgc: 0.006689273 ustep: 0.1100642 iter: 92 value: -963.9272 mgc: 0.00665594 ustep: 0.04913652 iter: 93 value: -963.9273 mgc: 0.006642041 ustep: 0.06073935 iter: 94 value: -963.9275 mgc: 0.006624691 ustep: 0.2465289 iter: 95 value: -963.928 mgc: 0.006538006 ustep: 0.4965671 iter: 96 value: -963.9281 mgc: 0.006286345 ustep: 0.14137 iter: 97 value: -963.9282 mgc: 0.006244605 ustep: 0.1112126 iter: 98 value: -963.9283 mgc: 0.006213037 ustep: 0.09645235 iter: 99 value: -963.9285 mgc: 0.006186217 ustep: 0.3106367 iter: 100 value: -963.9285 mgc: 0.006074959 ustep: 0.04964476 iter: 101 value: -963.9287 mgc: 0.006062088 ustep: 0.2228888 iter: 102 value: -963.9287 mgc: 0.005992199 ustep: 0.1476058 iter: 103 value: -963.9289 mgc: 0.005950286 ustep: 0.2152853 iter: 104 value: -963.929 mgc: 0.005884589 ustep: 0.1443464 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.005844456 outer mgc: 0.03882667 iter: 1 value: -87.14463 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0094 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5902 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2653 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6413 mgc: 44.31885 ustep: 0.09194845 iter: 6 value: -626.3533 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4778 mgc: 20.72673 ustep: 0.2102126 iter: 8 value: -796.3794 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0279 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1786 mgc: 607.5197 ustep: 0.01143812 iter: 11 value: -884.0254 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3851 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8016 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3922 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1652 mgc: 83.06464 ustep: 0.4768514 iter: 16 value: -945.111 mgc: 230.5801 ustep: 0.03597378 iter: 17 value: -947.7974 mgc: 3.260654 ustep: 0.1897486 iter: 18 value: -952.8179 mgc: 85.34086 ustep: 0.4356578 iter: 19 value: -953.379 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0006 mgc: 7.277427 ustep: 0.2553924 iter: 21 value: -957.737 mgc: 130.638 ustep: 0.5054131 iter: 22 value: -958.2394 mgc: 85.01669 ustep: 0.1436613 iter: 23 value: -959.3262 mgc: 33.27784 ustep: 0.3790889 iter: 24 value: -960.1891 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0686 mgc: 28.33756 ustep: 0.6165407 iter: 26 value: -961.5889 mgc: 520.0163 ustep: 0.09161564 iter: 27 value: -961.8761 mgc: 3.787513 ustep: 0.3027505 iter: 28 value: -962.3852 mgc: 134.9443 ustep: 0.5502726 iter: 29 value: -962.8777 mgc: 35.06714 ustep: 0.7418295 iter: 30 value: -963.0859 mgc: 280.4046 ustep: 0.3896537 iter: 31 value: -963.225 mgc: 7.388961 ustep: 0.6242601 iter: 32 value: -963.3619 mgc: 279.7636 ustep: 0.323079 iter: 33 value: -963.4614 mgc: 2.054405 ustep: 0.5684435 iter: 34 value: -963.6058 mgc: 94.52179 ustep: 0.7539765 iter: 35 value: -963.7366 mgc: 8.556573 ustep: 0.8683314 iter: 36 value: -963.7969 mgc: 112.5463 ustep: 0.7388702 iter: 37 value: -963.8016 mgc: 1.649412 ustep: 0.2175279 iter: 38 value: -963.8019 mgc: 2.286305 ustep: 0.01942977 iter: 39 value: -963.8025 mgc: 0.03026574 ustep: 0.03684983 iter: 40 value: -963.8059 mgc: 0.04572469 ustep: 0.1920439 iter: 41 value: -963.8103 mgc: 0.7224131 ustep: 0.250498 iter: 42 value: -963.8218 mgc: 0.677195 ustep: 0.5005477 iter: 43 value: -963.8304 mgc: 1.78566 ustep: 0.4591428 iter: 44 value: -963.848 mgc: 0.6042626 ustep: 0.677633 iter: 45 value: -963.8747 mgc: 1.4349 ustep: 0.8232024 iter: 46 value: -963.9037 mgc: 1.622197 ustep: 0.9073143 iter: 47 value: -963.9042 mgc: 0.8812244 ustep: 0.173345 iter: 48 value: -963.9043 mgc: 0.01215854 ustep: 0.06508227 iter: 49 value: -963.9044 mgc: 0.01212347 ustep: 0.03614671 iter: 50 value: -963.9049 mgc: 0.0121046 ustep: 0.1902039 iter: 51 value: -963.9066 mgc: 0.01198775 ustep: 0.4361801 iter: 52 value: -963.9103 mgc: 0.01161603 ustep: 0.6604733 iter: 53 value: -963.9125 mgc: 0.01397105 ustep: 0.5671775 iter: 54 value: -963.9131 mgc: 0.01020693 ustep: 0.2950564 iter: 55 value: -963.9148 mgc: 0.01003483 ustep: 0.5432366 iter: 56 value: -963.9181 mgc: 0.009569352 ustep: 0.7370722 iter: 57 value: -963.9188 mgc: 0.008586738 ustep: 0.3866345 iter: 58 value: -963.9189 mgc: 0.008371407 ustep: 0.1144191 iter: 59 value: -963.9192 mgc: 0.008327505 ustep: 0.1865473 iter: 60 value: -963.9193 mgc: 0.008250312 ustep: 0.1318258 iter: 61 value: -963.9195 mgc: 0.008199519 ustep: 0.1066506 iter: 62 value: -963.9199 mgc: 0.00815978 ustep: 0.3266414 iter: 63 value: -963.9211 mgc: 0.00800146 ustep: 0.5715683 iter: 64 value: -963.9212 mgc: 0.007588529 ustep: 0.1616175 iter: 65 value: -963.9218 mgc: 0.007529327 ustep: 0.4020766 iter: 66 value: -963.9223 mgc: 0.007328307 ustep: 0.39509 iter: 67 value: -963.9223 mgc: 0.007138099 ustep: 0.06000108 iter: 68 value: -963.9225 mgc: 0.007119558 ustep: 0.2450267 iter: 69 value: -963.9228 mgc: 0.007026509 ustep: 0.2893743 iter: 70 value: -963.9231 mgc: 0.006911654 ustep: 0.3202485 iter: 71 value: -963.9239 mgc: 0.006781252 ustep: 0.5659484 iter: 72 value: -963.9245 mgc: 0.006438372 ustep: 0.5022754 iter: 73 value: -963.9256 mgc: 0.006184973 ustep: 0.708743 iter: 74 value: -963.9259 mgc: 0.005628169 ustep: 0.3693304 iter: 75 value: -963.9265 mgc: 0.005497171 ustep: 0.6077648 iter: 76 value: -963.9275 mgc: 0.005170432 ustep: 0.7796148 iter: 77 value: -963.9277 mgc: 0.004515995 ustep: 0.4150117 iter: 78 value: -963.9279 mgc: 0.004388336 ustep: 0.4035115 iter: 79 value: -963.9279 mgc: 0.004269787 ustep: 0.2228194 iter: 80 value: -963.928 mgc: 0.004220109 ustep: 0.07672429 iter: 81 value: -963.9281 mgc: 0.004205757 ustep: 0.2770638 iter: 82 value: -963.9283 mgc: 0.004140561 ustep: 0.5264159 iter: 83 value: -963.9284 mgc: 0.003959481 ustep: 0.2761591 iter: 84 value: -963.9286 mgc: 0.00389826 ustep: 0.5255558 iter: 85 value: -963.9287 mgc: 0.003728036 ustep: 0.4755288 iter: 86 value: -963.9291 mgc: 0.003593583 ustep: 0.689617 iter: 87 value: -963.9291 mgc: 0.003291103 ustep: 0.3582284 iter: 88 value: -963.9293 mgc: 0.00321678 ustep: 0.598562 iter: 89 value: -963.9294 mgc: 0.003029505 ustep: 0.3102064 iter: 90 value: -963.9294 mgc: 0.002974028 ustep: 0.3343887 iter: 91 value: -963.9295 mgc: 0.002913287 ustep: 0.1941177 iter: 92 value: -963.9295 mgc: 0.002884443 ustep: 0.1351591 iter: 93 value: -963.9295 mgc: 0.002865847 ustep: 0.2048086 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.002835516 outer mgc: 0.04702631 iter: 1 value: -87.14674 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0116 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5925 mgc: 34.48006 ustep: 0.04889356 iter: 4 value: -450.2676 mgc: 817.5944 ustep: 0.03075696 iter: 5 value: -577.6437 mgc: 44.31888 ustep: 0.09194845 iter: 6 value: -626.3557 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4806 mgc: 20.72675 ustep: 0.2102126 iter: 8 value: -796.3823 mgc: 1908.268 ustep: 0.07379655 iter: 9 value: -863.0309 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1818 mgc: 607.5189 ustep: 0.01143812 iter: 11 value: -884.0286 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3884 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8049 mgc: 130.8823 ustep: 0.05164717 iter: 14 value: -929.3954 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1684 mgc: 83.06469 ustep: 0.4768514 iter: 16 value: -945.1142 mgc: 230.5803 ustep: 0.03597378 iter: 17 value: -947.8006 mgc: 3.260666 ustep: 0.1897486 iter: 18 value: -952.821 mgc: 85.34079 ustep: 0.4356578 iter: 19 value: -953.3821 mgc: 155.2306 ustep: 0.06518725 iter: 20 value: -955.0037 mgc: 7.277424 ustep: 0.2553924 iter: 21 value: -957.7401 mgc: 130.6384 ustep: 0.5054131 iter: 22 value: -958.2425 mgc: 85.0165 ustep: 0.1436613 iter: 23 value: -959.3292 mgc: 33.27799 ustep: 0.3790889 iter: 24 value: -960.1922 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0717 mgc: 28.33764 ustep: 0.6165407 iter: 26 value: -961.5919 mgc: 520.0169 ustep: 0.09161564 iter: 27 value: -961.8792 mgc: 3.787522 ustep: 0.3027505 iter: 28 value: -962.3883 mgc: 134.945 ustep: 0.5502726 iter: 29 value: -962.8808 mgc: 35.06701 ustep: 0.7418295 iter: 30 value: -963.089 mgc: 280.4069 ustep: 0.3896537 iter: 31 value: -963.228 mgc: 7.388894 ustep: 0.6242601 iter: 32 value: -963.4125 mgc: 279.7658 ustep: 0.5418217 iter: 33 value: -963.5197 mgc: 2.780409 ustep: 0.7361118 iter: 34 value: -963.6404 mgc: 209.3558 ustep: 0.6230873 iter: 35 value: -963.725 mgc: 0.9145278 ustep: 0.7893798 iter: 36 value: -963.7719 mgc: 87.37519 ustep: 0.6659898 iter: 37 value: -963.7807 mgc: 0.9129704 ustep: 0.3450668 iter: 38 value: -963.8006 mgc: 2.17005 ustep: 0.5874651 iter: 39 value: -963.8343 mgc: 3.135524 ustep: 0.7664861 iter: 40 value: -963.8356 mgc: 3.367092 ustep: 0.1220354 iter: 41 value: -963.8404 mgc: 0.02525838 ustep: 0.3494007 iter: 42 value: -963.8426 mgc: 0.104436 ustep: 0.2003201 iter: 43 value: -963.8491 mgc: 0.02399728 ustep: 0.4476265 iter: 44 value: -963.8629 mgc: 0.1184269 ustep: 0.6690821 iter: 45 value: -963.8848 mgc: 0.3388471 ustep: 0.8179926 iter: 46 value: -963.9096 mgc: 0.4548985 ustep: 0.904439 iter: 47 value: -963.91 mgc: 0.2520649 ustep: 0.1717266 iter: 48 value: -963.9106 mgc: 0.01157585 ustep: 0.2347691 iter: 49 value: -963.9124 mgc: 0.01143155 ustep: 0.4845813 iter: 50 value: -963.9139 mgc: 0.01100686 ustep: 0.4487284 iter: 51 value: -963.9145 mgc: 0.01065168 ustep: 0.2419642 iter: 52 value: -963.9146 mgc: 0.01051429 ustep: 0.08113738 iter: 53 value: -963.9153 mgc: 0.01047643 ustep: 0.2849178 iter: 54 value: -963.917 mgc: 0.01030844 ustep: 0.5338235 iter: 55 value: -963.9183 mgc: 0.009847924 ustep: 0.4809714 iter: 56 value: -963.9188 mgc: 0.009489169 ustep: 0.2559163 iter: 57 value: -963.92 mgc: 0.0093579 ustep: 0.5059311 iter: 58 value: -963.921 mgc: 0.00898296 ustep: 0.4626617 iter: 59 value: -963.9218 mgc: 0.008678482 ustep: 0.4344695 iter: 60 value: -963.9222 mgc: 0.008415098 ustep: 0.2358808 iter: 61 value: -963.9223 mgc: 0.008310585 ustep: 0.07973866 iter: 62 value: -963.9226 mgc: 0.008281352 ustep: 0.2824521 iter: 63 value: -963.9228 mgc: 0.00815065 ustep: 0.1726403 iter: 64 value: -963.9231 mgc: 0.008081949 ustep: 0.2354887 iter: 65 value: -963.924 mgc: 0.00798179 ustep: 0.4853233 iter: 66 value: -963.9257 mgc: 0.007686455 ustep: 0.6966818 iter: 67 value: -963.9266 mgc: 0.007028045 ustep: 0.5933588 iter: 68 value: -963.9284 mgc: 0.006633314 ustep: 0.7703208 iter: 69 value: -963.9284 mgc: 0.005837768 ustep: 0.1230067 iter: 70 value: -963.9284 mgc: 0.005804679 ustep: 0.05255107 iter: 71 value: -963.9286 mgc: 0.005791623 ustep: 0.2293173 iter: 72 value: -963.929 mgc: 0.005722384 ustep: 0.4789229 iter: 73 value: -963.929 mgc: 0.005515943 ustep: 0.1368646 iter: 74 value: -963.9291 mgc: 0.005480547 ustep: 0.05610361 iter: 75 value: -963.9292 mgc: 0.005467309 ustep: 0.2369383 iter: 76 value: -963.9293 mgc: 0.005398988 ustep: 0.2836019 iter: 77 value: -963.9294 mgc: 0.005313216 ustep: 0.09066021 iter: 78 value: -963.9295 mgc: 0.005291699 ustep: 0.3011682 iter: 79 value: -963.93 mgc: 0.005200238 ustep: 0.5488331 iter: 80 value: -963.93 mgc: 0.004953874 ustep: 0.1552674 iter: 81 value: -963.9302 mgc: 0.004916916 ustep: 0.3941004 iter: 82 value: -963.9307 mgc: 0.004789408 ustep: 0.6278114 iter: 83 value: -963.9307 mgc: 0.004479445 ustep: 0.09353294 iter: 84 value: -963.9308 mgc: 0.004460561 ustep: 0.305901 iter: 85 value: -963.9309 mgc: 0.004381292 ustep: 0.09575162 iter: 86 value: -963.9309 mgc: 0.004362325 ustep: 0.0884122 iter: 87 value: -963.931 mgc: 0.00434502 ustep: 0.2974122 iter: 88 value: -963.9311 mgc: 0.00427074 ustep: 0.3257275 iter: 89 value: -963.9314 mgc: 0.004187568 ustep: 0.5707683 iter: 90 value: -963.9315 mgc: 0.003970153 ustep: 0.2967611 iter: 91 value: -963.9317 mgc: 0.003902299 ustep: 0.5448034 iter: 92 value: -963.9317 mgc: 0.003718645 ustep: 0.1541628 iter: 93 value: -963.9319 mgc: 0.00369088 ustep: 0.3926965 iter: 94 value: -963.9319 mgc: 0.003594864 ustep: 0.2182954 iter: 95 value: -963.9319 mgc: 0.003553856 ustep: 0.07567597 iter: 96 value: -963.932 mgc: 0.003541873 ustep: 0.2751651 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.003487143 outer mgc: 0.0469734 iter: 1 value: -87.48714 mgc: 22.05939 ustep: 0.0692153 iter: 2 value: -275.1905 mgc: 3382.169 ustep: 0.002381288 iter: 3 value: -389.6989 mgc: 34.47015 ustep: 0.04889356 iter: 4 value: -450.3386 mgc: 817.0149 ustep: 0.03075696 iter: 5 value: -577.6535 mgc: 44.29772 ustep: 0.09194845 iter: 6 value: -626.3447 mgc: 1128.104 ustep: 0.04415613 iter: 7 value: -761.4355 mgc: 20.72671 ustep: 0.2102126 iter: 8 value: -796.3314 mgc: 1908.339 ustep: 0.07379655 iter: 9 value: -862.9899 mgc: 5.324007 ustep: 0.271728 iter: 10 value: -869.1298 mgc: 608.2124 ustep: 0.01143812 iter: 11 value: -883.978 mgc: 3.409568 ustep: 0.1070385 iter: 12 value: -915.3446 mgc: 49.77413 ustep: 0.3272346 iter: 13 value: -918.7617 mgc: 130.8685 ustep: 0.05164717 iter: 14 value: -929.3556 mgc: 12.0382 ustep: 0.2273374 iter: 15 value: -944.1338 mgc: 83.0105 ustep: 0.4768514 iter: 16 value: -945.0797 mgc: 230.6251 ustep: 0.03597378 iter: 17 value: -947.767 mgc: 3.260812 ustep: 0.1897486 iter: 18 value: -952.7893 mgc: 85.36049 ustep: 0.4356578 iter: 19 value: -953.3506 mgc: 155.2555 ustep: 0.06518725 iter: 20 value: -954.9727 mgc: 7.281326 ustep: 0.2553924 iter: 21 value: -957.71 mgc: 130.6392 ustep: 0.5054131 iter: 22 value: -958.2126 mgc: 85.01136 ustep: 0.1436613 iter: 23 value: -959.2997 mgc: 33.28244 ustep: 0.3790889 iter: 24 value: -960.1629 mgc: 210.8432 ustep: 0.3800752 iter: 25 value: -961.0424 mgc: 28.33532 ustep: 0.6165407 iter: 26 value: -961.5632 mgc: 520.213 ustep: 0.09161564 iter: 27 value: -961.8505 mgc: 3.78765 ustep: 0.3027505 iter: 28 value: -962.3598 mgc: 135.0116 ustep: 0.5502726 iter: 29 value: -962.8524 mgc: 35.05349 ustep: 0.7418295 iter: 30 value: -963.0607 mgc: 280.6159 ustep: 0.3896537 iter: 31 value: -963.1997 mgc: 7.38351 ustep: 0.6242601 iter: 32 value: -963.3843 mgc: 279.9896 ustep: 0.5418217 iter: 33 value: -963.4915 mgc: 2.775694 ustep: 0.7361118 iter: 34 value: -963.6123 mgc: 209.5624 ustep: 0.6230873 iter: 35 value: -963.6969 mgc: 0.9097469 ustep: 0.7893798 iter: 36 value: -963.8016 mgc: 87.47812 ustep: 0.8884817 iter: 37 value: -963.8704 mgc: 1.642525 ustep: 0.9425988 iter: 38 value: -963.9003 mgc: 34.5664 ustep: 0.9708782 iter: 39 value: -963.9027 mgc: 0.4126004 ustep: 0.8788046 iter: 40 value: -963.9027 mgc: 0.6820867 ustep: 0.08291889 iter: 41 value: -963.9028 mgc: 0.004320974 ustep: 0.2880276 iter: 42 value: -963.9029 mgc: 0.004250119 ustep: 0.3193275 iter: 43 value: -963.9029 mgc: 0.00416954 ustep: 0.09882361 iter: 44 value: -963.903 mgc: 0.004150791 ustep: 0.3144308 iter: 45 value: -963.9031 mgc: 0.004073852 ustep: 0.02537011 iter: 46 value: -963.9031 mgc: 0.00406949 ustep: 0.159364 iter: 47 value: -963.9032 mgc: 0.004037972 ustep: 0.3992643 iter: 48 value: -963.9036 mgc: 0.003930446 ustep: 0.6319105 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.00367108 outer mgc: 0.161562 iter: 1 value: -86.80344 mgc: 22.09764 ustep: 0.0692153 iter: 2 value: -274.8302 mgc: 3390.003 ustep: 0.002381288 iter: 3 value: -389.4836 mgc: 34.49 ustep: 0.04889356 iter: 4 value: -450.1942 mgc: 818.1742 ustep: 0.03075696 iter: 5 value: -577.6315 mgc: 44.34002 ustep: 0.09194845 iter: 6 value: -626.3642 mgc: 1129.332 ustep: 0.04415613 iter: 7 value: -761.5228 mgc: 20.72676 ustep: 0.2102126 iter: 8 value: -796.4303 mgc: 1908.194 ustep: 0.07379655 iter: 9 value: -863.0686 mgc: 5.323873 ustep: 0.271728 iter: 10 value: -869.2305 mgc: 606.8247 ustep: 0.01143812 iter: 11 value: -884.0758 mgc: 3.409506 ustep: 0.1070385 iter: 12 value: -915.4287 mgc: 49.77657 ustep: 0.3272346 iter: 13 value: -918.8447 mgc: 130.8957 ustep: 0.05164717 iter: 14 value: -929.4319 mgc: 12.03868 ustep: 0.2273374 iter: 15 value: -944.1997 mgc: 83.1188 ustep: 0.4768514 iter: 16 value: -945.1453 mgc: 230.5349 ustep: 0.03597378 iter: 17 value: -947.8308 mgc: 3.260502 ustep: 0.1897486 iter: 18 value: -952.8495 mgc: 85.32098 ustep: 0.4356578 iter: 19 value: -953.4105 mgc: 155.2059 ustep: 0.06518725 iter: 20 value: -955.0316 mgc: 7.273506 ustep: 0.2553924 iter: 21 value: -957.767 mgc: 130.637 ustep: 0.5054131 iter: 22 value: -958.2692 mgc: 85.02189 ustep: 0.1436613 iter: 23 value: -959.3556 mgc: 33.27332 ustep: 0.3790889 iter: 24 value: -960.2182 mgc: 210.7804 ustep: 0.3800752 iter: 25 value: -961.0977 mgc: 28.33985 ustep: 0.6165407 iter: 26 value: -961.6175 mgc: 519.8201 ustep: 0.09161564 iter: 27 value: -961.9046 mgc: 3.787381 ustep: 0.3027505 iter: 28 value: -962.4136 mgc: 134.8775 ustep: 0.5502726 iter: 29 value: -962.9061 mgc: 35.08069 ustep: 0.7418295 iter: 30 value: -963.114 mgc: 280.1952 ustep: 0.3896537 iter: 31 value: -963.2532 mgc: 7.394362 ustep: 0.6242601 iter: 32 value: -963.4374 mgc: 279.5396 ustep: 0.5418217 iter: 33 value: -963.5447 mgc: 2.785167 ustep: 0.7361118 iter: 34 value: -963.6653 mgc: 209.1478 ustep: 0.6230873 iter: 35 value: -963.7499 mgc: 0.9193355 ustep: 0.7893798 iter: 36 value: -963.7967 mgc: 87.27185 ustep: 0.6659898 iter: 37 value: -963.7977 mgc: 0.9144442 ustep: 0.05151172 iter: 38 value: -963.8001 mgc: 0.07515711 ustep: 0.120806 iter: 39 value: -963.8087 mgc: 0.2686496 ustep: 0.3476369 iter: 40 value: -963.8125 mgc: 1.382464 ustep: 0.1995909 iter: 41 value: -963.8148 mgc: 0.1956727 ustep: 0.1375524 iter: 42 value: -963.8186 mgc: 0.06498255 ustep: 0.2068484 iter: 43 value: -963.8295 mgc: 0.1200838 ustep: 0.4548605 iter: 44 value: -963.8335 mgc: 0.6318471 ustep: 0.2445956 iter: 45 value: -963.8383 mgc: 0.07775637 ustep: 0.2890679 iter: 46 value: -963.8507 mgc: 0.09715599 ustep: 0.5376966 iter: 47 value: -963.8546 mgc: 0.4769186 ustep: 0.2813107 iter: 48 value: -963.859 mgc: 0.04698993 ustep: 0.3147198 iter: 49 value: -963.8636 mgc: 0.05368339 ustep: 0.3374279 iter: 50 value: -963.8747 mgc: 0.05380965 ustep: 0.5809273 iter: 51 value: -963.8822 mgc: 0.240192 ustep: 0.5123113 iter: 52 value: -963.8971 mgc: 0.09469011 ustep: 0.7157876 iter: 53 value: -963.9049 mgc: 0.244402 ustep: 0.6075845 iter: 54 value: -963.9054 mgc: 0.05480243 ustep: 0.09012217 iter: 55 value: -963.9058 mgc: 0.01687438 ustep: 0.08538067 iter: 56 value: -963.9067 mgc: 0.01680835 ustep: 0.1587175 iter: 57 value: -963.907 mgc: 0.01667615 ustep: 0.06153614 iter: 58 value: -963.9085 mgc: 0.01663036 ustep: 0.24814 iter: 59 value: -963.9093 mgc: 0.01640358 ustep: 0.1583091 iter: 60 value: -963.9121 mgc: 0.01627553 ustep: 0.3979409 iter: 61 value: -963.9147 mgc: 0.01583948 ustep: 0.3923939 iter: 62 value: -963.9171 mgc: 0.01542611 ustep: 0.3887745 iter: 63 value: -963.9181 mgc: 0.01503071 ustep: 0.2166589 iter: 64 value: -963.9194 mgc: 0.01486095 ustep: 0.2688915 iter: 65 value: -963.9229 mgc: 0.01463897 ustep: 0.5185957 iter: 66 value: -963.9256 mgc: 0.01401876 ustep: 0.4709575 iter: 67 value: -963.9312 mgc: 0.01352562 ustep: 0.6862948 iter: 68 value: -963.94 mgc: 0.01241763 ustep: 0.8284463 iter: 69 value: -963.9405 mgc: 0.01037933 ustep: 0.2600224 iter: 70 value: -963.9409 mgc: 0.01023313 ustep: 0.1632941 iter: 71 value: -963.9413 mgc: 0.01015258 ustep: 0.2280681 iter: 72 value: -963.9419 mgc: 0.0100321 ustep: 0.2772116 iter: 73 value: -963.9422 mgc: 0.009878128 ustep: 0.1704628 iter: 74 value: -963.9422 mgc: 0.009796319 ustep: 0.03272652 iter: 75 value: -963.9424 mgc: 0.009782868 ustep: 0.09499693 iter: 76 value: -963.943 mgc: 0.009741314 ustep: 0.3082849 iter: 77 value: -963.9446 mgc: 0.009568036 ustep: 0.5552786 iter: 78 value: -963.9457 mgc: 0.009105992 ustep: 0.495169 iter: 79 value: -963.9481 mgc: 0.008756864 ustep: 0.7037121 iter: 80 value: -963.9482 mgc: 0.007985134 ustep: 0.1077839 iter: 81 value: -963.9486 mgc: 0.007946071 ustep: 0.3283717 iter: 82 value: -963.9487 mgc: 0.007791018 ustep: 0.1008977 iter: 83 value: -963.9491 mgc: 0.007755588 ustep: 0.3177122 iter: 84 value: -963.9493 mgc: 0.007611269 ustep: 0.1872319 iter: 85 value: -963.9494 mgc: 0.007540526 ustep: 0.1321284 iter: 86 value: -963.9496 mgc: 0.007494069 ustep: 0.2022068 iter: 87 value: -963.9499 mgc: 0.0074182 ustep: 0.2581718 iter: 88 value: -963.9506 mgc: 0.007315407 ustep: 0.5081552 iter: 89 value: -963.9509 mgc: 0.00702198 ustep: 0.2679327 iter: 90 value: -963.9512 mgc: 0.006919487 ustep: 0.3054699 iter: 91 value: -963.9512 mgc: 0.006798386 ustep: 0.0956531 iter: 92 value: -963.9513 mgc: 0.006769382 ustep: 0.08835966 iter: 93 value: -963.9516 mgc: 0.006742904 ustep: 0.2973238 iter: 94 value: -963.9522 mgc: 0.006629178 ustep: 0.5453195 iter: 95 value: -963.9523 mgc: 0.006321219 ustep: 0.154304 iter: 96 value: -963.9527 mgc: 0.0062747 ustep: 0.3928762 iter: 97 value: -963.953 mgc: 0.006113779 ustep: 0.3890893 iter: 98 value: -963.9537 mgc: 0.005959245 ustep: 0.6238079 iter: 99 value: -963.9538 mgc: 0.0055815 ustep: 0.1770901 iter: 100 value: -963.9541 mgc: 0.005532888 ustep: 0.4208786 iter: 101 value: -963.9544 mgc: 0.005373284 ustep: 0.4073268 iter: 102 value: -963.955 mgc: 0.005226332 ustep: 0.6382577 iter: 103 value: -963.955 mgc: 0.004873693 ustep: 0.1816257 iter: 104 value: -963.9553 mgc: 0.004829723 ustep: 0.426233 iter: 105 value: -963.9558 mgc: 0.004686757 ustep: 0.6529 iter: 106 value: -963.9561 mgc: 0.004349979 ustep: 0.5618131 iter: 107 value: -963.9566 mgc: 0.004131605 ustep: 0.749567 iter: 108 value: -963.9567 mgc: 0.003676508 ustep: 0.3946409 iter: 109 value: -963.9568 mgc: 0.003579917 ustep: 0.2191075 iter: 110 value: -963.9568 mgc: 0.003538807 ustep: 0.07586433 iter: 111 value: -963.9568 mgc: 0.003526819 ustep: 0.2755073 iter: 112 value: -963.9569 mgc: 0.003472124 ustep: 0.0888127 iter: 113 value: -963.9569 mgc: 0.00345816 ustep: 0.16218 iter: 114 value: -963.957 mgc: 0.003430642 ustep: 0.4027755 iter: 115 value: -963.957 mgc: 0.003337308 ustep: 0.222511 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.003298153 outer mgc: 0.1608546 iter: 1 value: -87.14706 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0119 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5932 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2683 mgc: 817.5944 ustep: 0.03075696 iter: 5 value: -577.6437 mgc: 44.31889 ustep: 0.09194845 iter: 6 value: -626.3553 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4779 mgc: 20.72677 ustep: 0.2102126 iter: 8 value: -796.379 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0262 mgc: 5.323941 ustep: 0.271728 iter: 10 value: -869.1769 mgc: 607.5199 ustep: 0.01143812 iter: 11 value: -884.0233 mgc: 3.409538 ustep: 0.1070385 iter: 12 value: -915.3826 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.7991 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3896 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.163 mgc: 83.06465 ustep: 0.4768514 iter: 16 value: -945.1087 mgc: 230.5799 ustep: 0.03597378 iter: 17 value: -947.7952 mgc: 3.260668 ustep: 0.1897486 iter: 18 value: -952.8159 mgc: 85.34091 ustep: 0.4356578 iter: 19 value: -953.377 mgc: 155.2306 ustep: 0.06518725 iter: 20 value: -954.9987 mgc: 7.277449 ustep: 0.2553924 iter: 21 value: -957.7352 mgc: 130.6384 ustep: 0.5054131 iter: 22 value: -958.2376 mgc: 85.01654 ustep: 0.1436613 iter: 23 value: -959.3244 mgc: 33.278 ustep: 0.3790889 iter: 24 value: -960.1873 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0668 mgc: 28.33765 ustep: 0.6165407 iter: 26 value: -961.5871 mgc: 520.017 ustep: 0.09161564 iter: 27 value: -961.8743 mgc: 3.787523 ustep: 0.3027505 iter: 28 value: -962.3834 mgc: 134.945 ustep: 0.5502726 iter: 29 value: -962.8759 mgc: 35.06702 ustep: 0.7418295 iter: 30 value: -963.0841 mgc: 280.4069 ustep: 0.3896537 iter: 31 value: -963.2231 mgc: 7.388901 ustep: 0.6242601 iter: 32 value: -963.4075 mgc: 279.7657 ustep: 0.5418217 iter: 33 value: -963.5147 mgc: 2.780415 ustep: 0.7361118 iter: 34 value: -963.6355 mgc: 209.3558 ustep: 0.6230873 iter: 35 value: -963.72 mgc: 0.9145339 ustep: 0.7893798 iter: 36 value: -963.8247 mgc: 87.37518 ustep: 0.8884817 iter: 37 value: -963.8935 mgc: 1.647259 ustep: 0.9425988 iter: 38 value: -963.9234 mgc: 34.51479 ustep: 0.9708782 iter: 39 value: -963.9257 mgc: 0.4133126 ustep: 0.8788046 iter: 40 value: -963.926 mgc: 0.6807352 ustep: 0.4997792 iter: 41 value: -963.9261 mgc: 0.004627333 ustep: 0.2642024 iter: 42 value: -963.9262 mgc: 0.004104774 ustep: 0.3028721 iter: 43 value: -963.9262 mgc: 0.004032634 ustep: 0.1810999 iter: 44 value: -963.9264 mgc: 0.003996248 ustep: 0.4256158 iter: 45 value: -963.9265 mgc: 0.003877972 ustep: 0.2321264 iter: 46 value: -963.9267 mgc: 0.003830317 ustep: 0.4818468 iter: 47 value: -963.9267 mgc: 0.003689138 ustep: 0.2562994 iter: 48 value: -963.9268 mgc: 0.00363755 ustep: 0.1617352 iter: 49 value: -963.9268 mgc: 0.003608896 ustep: 0.1206796 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.003588629 outer mgc: 0.059748 iter: 1 value: -87.14428 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0091 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5894 mgc: 34.48006 ustep: 0.04889356 iter: 4 value: -450.2645 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6412 mgc: 44.31884 ustep: 0.09194845 iter: 6 value: -626.3536 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4804 mgc: 20.72671 ustep: 0.2102126 iter: 8 value: -796.3826 mgc: 1908.268 ustep: 0.07379655 iter: 9 value: -863.0326 mgc: 5.323939 ustep: 0.271728 iter: 10 value: -869.1835 mgc: 607.5188 ustep: 0.01143812 iter: 11 value: -884.0306 mgc: 3.409536 ustep: 0.1070385 iter: 12 value: -915.3908 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8074 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3979 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1707 mgc: 83.06468 ustep: 0.4768514 iter: 16 value: -945.1164 mgc: 230.5805 ustep: 0.03597378 iter: 17 value: -947.8027 mgc: 3.260653 ustep: 0.1897486 iter: 18 value: -952.823 mgc: 85.34074 ustep: 0.4356578 iter: 19 value: -953.3841 mgc: 155.2308 ustep: 0.06518725 iter: 20 value: -955.0057 mgc: 7.277401 ustep: 0.2553924 iter: 21 value: -957.7419 mgc: 130.638 ustep: 0.5054131 iter: 22 value: -958.2443 mgc: 85.01665 ustep: 0.1436613 iter: 23 value: -959.331 mgc: 33.27784 ustep: 0.3790889 iter: 24 value: -960.194 mgc: 210.8118 ustep: 0.3800752 iter: 25 value: -961.0735 mgc: 28.33756 ustep: 0.6165407 iter: 26 value: -961.5937 mgc: 520.0163 ustep: 0.09161564 iter: 27 value: -961.881 mgc: 3.787512 ustep: 0.3027505 iter: 28 value: -962.3901 mgc: 134.9443 ustep: 0.5502726 iter: 29 value: -962.8826 mgc: 35.06713 ustep: 0.7418295 iter: 30 value: -963.0908 mgc: 280.4047 ustep: 0.3896537 iter: 31 value: -963.2299 mgc: 7.388955 ustep: 0.6242601 iter: 32 value: -963.4143 mgc: 279.7637 ustep: 0.5418217 iter: 33 value: -963.5215 mgc: 2.780458 ustep: 0.7361118 iter: 34 value: -963.6422 mgc: 209.3543 ustep: 0.6230873 iter: 35 value: -963.7268 mgc: 0.9145685 ustep: 0.7893798 iter: 36 value: -963.8315 mgc: 87.37469 ustep: 0.8884817 iter: 37 value: -963.9003 mgc: 1.647282 ustep: 0.9425988 iter: 38 value: -963.9302 mgc: 34.51466 ustep: 0.9708782 iter: 39 value: -963.9305 mgc: 0.4133158 ustep: 0.4098773 iter: 40 value: -963.9307 mgc: 0.1472498 ustep: 0.2254908 iter: 41 value: -963.9311 mgc: 0.01221832 ustep: 0.4749113 iter: 42 value: -963.9312 mgc: 0.02499991 ustep: 0.253271 iter: 43 value: -963.9316 mgc: 0.005144431 ustep: 0.5033101 iter: 44 value: -963.9316 mgc: 0.006841407 ustep: 0.1431145 iter: 45 value: -963.9318 mgc: 0.004904422 ustep: 0.3783669 iter: 46 value: -963.932 mgc: 0.004784505 ustep: 0.3796024 iter: 47 value: -963.9322 mgc: 0.004666988 ustep: 0.3804115 iter: 48 value: -963.9327 mgc: 0.004552028 ustep: 0.6168134 iter: 49 value: -963.9334 mgc: 0.004269516 ustep: 0.7853961 iter: 50 value: -963.9344 mgc: 0.004978432 ustep: 0.8862372 iter: 51 value: -963.9352 mgc: 0.003583827 ustep: 0.9414076 iter: 52 value: -963.9352 mgc: 0.001687534 ustep: 0.197133 iter: 53 value: -963.9352 mgc: 0.001670536 ustep: 0.1364793 iter: 54 value: -963.9353 mgc: 0.001659664 ustep: 0.369494 iter: 55 value: -963.9353 mgc: 0.001620285 ustep: 0.1104051 iter: 56 value: -963.9353 mgc: 0.001611987 ustep: 0.3323394 iter: 57 value: -963.9353 mgc: 0.001579362 ustep: 0.5765312 iter: 58 value: -963.9353 mgc: 0.001494793 ustep: 0.1630319 iter: 59 value: -963.9353 mgc: 0.001482788 ustep: 0.2278579 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.001464816 outer mgc: 0.0597684 iter: 1 value: -87.14887 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0132 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5906 mgc: 34.48004 ustep: 0.04889356 iter: 4 value: -450.2645 mgc: 817.5944 ustep: 0.03075696 iter: 5 value: -577.6388 mgc: 44.31897 ustep: 0.09194845 iter: 6 value: -626.3503 mgc: 1128.719 ustep: 0.04415613 iter: 7 value: -761.474 mgc: 20.72687 ustep: 0.2102126 iter: 8 value: -796.3755 mgc: 1908.27 ustep: 0.07379655 iter: 9 value: -863.024 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1744 mgc: 607.5185 ustep: 0.01143812 iter: 11 value: -884.0212 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.381 mgc: 49.77534 ustep: 0.3272346 iter: 13 value: -918.7976 mgc: 130.8823 ustep: 0.05164717 iter: 14 value: -929.3883 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1617 mgc: 83.06476 ustep: 0.4768514 iter: 16 value: -945.1075 mgc: 230.5796 ustep: 0.03597378 iter: 17 value: -947.794 mgc: 3.260691 ustep: 0.1897486 iter: 18 value: -952.8146 mgc: 85.34059 ustep: 0.4356578 iter: 19 value: -953.3757 mgc: 155.2301 ustep: 0.06518725 iter: 20 value: -954.9974 mgc: 7.277481 ustep: 0.2553924 iter: 21 value: -957.7339 mgc: 130.6396 ustep: 0.5054131 iter: 22 value: -958.2363 mgc: 85.01594 ustep: 0.1436613 iter: 23 value: -959.3231 mgc: 33.2785 ustep: 0.3790889 iter: 24 value: -960.186 mgc: 210.812 ustep: 0.3800752 iter: 25 value: -961.0655 mgc: 28.33791 ustep: 0.6165407 iter: 26 value: -961.5858 mgc: 520.0193 ustep: 0.09161564 iter: 27 value: -961.873 mgc: 3.787555 ustep: 0.3027505 iter: 28 value: -962.3821 mgc: 134.9473 ustep: 0.5502726 iter: 29 value: -962.8747 mgc: 35.06656 ustep: 0.7418295 iter: 30 value: -963.0828 mgc: 280.4151 ustep: 0.3896537 iter: 31 value: -963.2219 mgc: 7.38867 ustep: 0.6242601 iter: 32 value: -963.4063 mgc: 279.7737 ustep: 0.5418217 iter: 33 value: -963.5135 mgc: 2.780225 ustep: 0.7361118 iter: 34 value: -963.6343 mgc: 209.3619 ustep: 0.6230873 iter: 35 value: -963.7189 mgc: 0.9143707 ustep: 0.7893798 iter: 36 value: -963.8236 mgc: 87.37728 ustep: 0.8884817 iter: 37 value: -963.8345 mgc: 1.647143 ustep: 0.5103966 iter: 38 value: -963.8362 mgc: 7.037471 ustep: 0.1449623 iter: 39 value: -963.8415 mgc: 0.1416087 ustep: 0.3808011 iter: 40 value: -963.8438 mgc: 0.6476645 ustep: 0.2133379 iter: 41 value: -963.8467 mgc: 0.08230344 ustep: 0.2664469 iter: 42 value: -963.85 mgc: 0.09287673 ustep: 0.3044362 iter: 43 value: -963.8583 mgc: 0.08844398 ustep: 0.5518022 iter: 44 value: -963.8608 mgc: 0.3467951 ustep: 0.287834 iter: 45 value: -963.8675 mgc: 0.03119469 ustep: 0.536548 iter: 46 value: -963.868 mgc: 0.1555943 ustep: 0.07907869 iter: 47 value: -963.8689 mgc: 0.01820958 ustep: 0.1522119 iter: 48 value: -963.8693 mgc: 0.01800714 ustep: 0.05993756 iter: 49 value: -963.871 mgc: 0.0179356 ustep: 0.244897 iter: 50 value: -963.8757 mgc: 0.01758044 ustep: 0.4949212 iter: 51 value: -963.8795 mgc: 0.05920037 ustep: 0.4554694 iter: 52 value: -963.8874 mgc: 0.03189124 ustep: 0.6749172 iter: 53 value: -963.8882 mgc: 0.09827295 ustep: 0.1937381 iter: 54 value: -963.8888 mgc: 0.01464735 ustep: 0.1349926 iter: 55 value: -963.8892 mgc: 0.01455261 ustep: 0.1081743 iter: 56 value: -963.8896 mgc: 0.0144794 ustep: 0.09490216 iter: 57 value: -963.8902 mgc: 0.01441643 ustep: 0.1681966 iter: 58 value: -963.8907 mgc: 0.01429616 ustep: 0.1236186 iter: 59 value: -963.8924 mgc: 0.01421282 ustep: 0.3516592 iter: 60 value: -963.8966 mgc: 0.01390031 ustep: 0.5930493 iter: 61 value: -963.8994 mgc: 0.01677638 ustep: 0.5204899 iter: 62 value: -963.9049 mgc: 0.01255321 ustep: 0.7214777 iter: 63 value: -963.9055 mgc: 0.01599235 ustep: 0.2106582 iter: 64 value: -963.9058 mgc: 0.01122917 ustep: 0.1423532 iter: 65 value: -963.9063 mgc: 0.01115358 ustep: 0.2109032 iter: 66 value: -963.9078 mgc: 0.01103322 ustep: 0.4592961 iter: 67 value: -963.9084 mgc: 0.01066394 ustep: 0.2465051 iter: 68 value: -963.91 mgc: 0.01052365 ustep: 0.4965432 iter: 69 value: -963.9105 mgc: 0.01011737 ustep: 0.2627681 iter: 70 value: -963.912 mgc: 0.009972684 ustep: 0.5126579 iter: 71 value: -963.915 mgc: 0.009563389 ustep: 0.7160297 iter: 72 value: -963.9156 mgc: 0.008673597 ustep: 0.3736774 iter: 73 value: -963.9157 mgc: 0.008468036 ustep: 0.05732863 iter: 74 value: -963.916 mgc: 0.008447134 ustep: 0.23951 iter: 75 value: -963.9162 mgc: 0.008340254 ustep: 0.1546696 iter: 76 value: -963.9168 mgc: 0.008278618 ustep: 0.3933413 iter: 77 value: -963.9174 mgc: 0.008065775 ustep: 0.3893929 iter: 78 value: -963.9176 mgc: 0.007861678 ustep: 0.2169168 iter: 79 value: -963.9178 mgc: 0.007774003 ustep: 0.1450475 iter: 80 value: -963.9183 mgc: 0.007720669 ustep: 0.3809129 iter: 81 value: -963.9195 mgc: 0.007531915 ustep: 0.6172197 iter: 82 value: -963.9203 mgc: 0.007068028 ustep: 0.5369719 iter: 83 value: -963.9218 mgc: 0.006751203 ustep: 0.7328104 iter: 84 value: -963.9221 mgc: 0.006074307 ustep: 0.3839591 iter: 85 value: -963.9228 mgc: 0.005924138 ustep: 0.6196823 iter: 86 value: -963.9233 mgc: 0.005555128 ustep: 0.5386657 iter: 87 value: -963.9242 mgc: 0.005302297 ustep: 0.7339651 iter: 88 value: -963.9255 mgc: 0.004763663 ustep: 0.8567319 iter: 89 value: -963.9255 mgc: 0.003821334 ustep: 0.2772169 iter: 90 value: -963.9257 mgc: 0.003761807 ustep: 0.5265612 iter: 91 value: -963.9257 mgc: 0.003596557 ustep: 0.03959157 iter: 92 value: -963.9258 mgc: 0.003590442 ustep: 0.1990564 iter: 93 value: -963.9258 mgc: 0.003553941 ustep: 0.2558056 iter: 94 value: -963.9259 mgc: 0.003504144 ustep: 0.08431051 iter: 95 value: -963.9259 mgc: 0.003490854 ustep: 0.08218278 iter: 96 value: -963.9259 mgc: 0.003477976 ustep: 0.1554412 iter: 97 value: -963.9259 mgc: 0.0034517 ustep: 0.1177887 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.00343274 outer mgc: 0.06893721 iter: 1 value: -87.14247 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0077 mgc: 3386.081 ustep: 0.002381288 iter: 3 value: -389.592 mgc: 34.48009 ustep: 0.04889356 iter: 4 value: -450.2684 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6461 mgc: 44.31876 ustep: 0.09194845 iter: 6 value: -626.3586 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4843 mgc: 20.72661 ustep: 0.2102126 iter: 8 value: -796.3862 mgc: 1908.267 ustep: 0.07379655 iter: 9 value: -863.0348 mgc: 5.323939 ustep: 0.271728 iter: 10 value: -869.1859 mgc: 607.5201 ustep: 0.01143812 iter: 11 value: -884.0327 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3924 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8089 mgc: 130.8821 ustep: 0.05164717 iter: 14 value: -929.3993 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1719 mgc: 83.06457 ustep: 0.4768514 iter: 16 value: -945.1177 mgc: 230.5808 ustep: 0.03597378 iter: 17 value: -947.804 mgc: 3.260629 ustep: 0.1897486 iter: 18 value: -952.8243 mgc: 85.34105 ustep: 0.4356578 iter: 19 value: -953.3854 mgc: 155.2313 ustep: 0.06518725 iter: 20 value: -955.0069 mgc: 7.277369 ustep: 0.2553924 iter: 21 value: -957.7432 mgc: 130.6368 ustep: 0.5054131 iter: 22 value: -958.2456 mgc: 85.01724 ustep: 0.1436613 iter: 23 value: -959.3323 mgc: 33.27734 ustep: 0.3790889 iter: 24 value: -960.1952 mgc: 210.8117 ustep: 0.3800752 iter: 25 value: -961.0747 mgc: 28.33729 ustep: 0.6165407 iter: 26 value: -961.595 mgc: 520.0139 ustep: 0.09161564 iter: 27 value: -961.8822 mgc: 3.787481 ustep: 0.3027505 iter: 28 value: -962.3913 mgc: 134.942 ustep: 0.5502726 iter: 29 value: -962.8839 mgc: 35.06759 ustep: 0.7418295 iter: 30 value: -963.092 mgc: 280.3964 ustep: 0.3896537 iter: 31 value: -963.2311 mgc: 7.389185 ustep: 0.6242601 iter: 32 value: -963.4155 mgc: 279.7557 ustep: 0.5418217 iter: 33 value: -963.5227 mgc: 2.780648 ustep: 0.7361118 iter: 34 value: -963.6434 mgc: 209.3482 ustep: 0.6230873 iter: 35 value: -963.728 mgc: 0.9147316 ustep: 0.7893798 iter: 36 value: -963.7749 mgc: 87.37259 ustep: 0.6659898 iter: 37 value: -963.7952 mgc: 0.91302 ustep: 0.5711077 iter: 38 value: -963.798 mgc: 6.264966 ustep: 0.1614867 iter: 39 value: -963.802 mgc: 0.1044149 ustep: 0.2266171 iter: 40 value: -963.8133 mgc: 0.1588705 ustep: 0.4760955 iter: 41 value: -963.8223 mgc: 0.6952187 ustep: 0.4432042 iter: 42 value: -963.8299 mgc: 0.3244596 ustep: 0.4218309 iter: 43 value: -963.8365 mgc: 0.1958606 ustep: 0.4079458 iter: 44 value: -963.8512 mgc: 0.1301803 ustep: 0.6387425 iter: 45 value: -963.8601 mgc: 0.4512624 ustep: 0.5518753 iter: 46 value: -963.8769 mgc: 0.1404302 ustep: 0.7429088 iter: 47 value: -963.8802 mgc: 0.3174221 ustep: 0.3903436 iter: 48 value: -963.8816 mgc: 0.01735804 ustep: 0.2173134 iter: 49 value: -963.8834 mgc: 0.01715636 ustep: 0.2693721 iter: 50 value: -963.8882 mgc: 0.01689354 ustep: 0.5190588 iter: 51 value: -963.8977 mgc: 0.01901768 ustep: 0.7204853 iter: 52 value: -963.9027 mgc: 0.04748773 ustep: 0.6111319 iter: 53 value: -963.9028 mgc: 0.01371937 ustep: 0.0464287 iter: 54 value: -963.9036 mgc: 0.01369197 ustep: 0.2155516 iter: 55 value: -963.9041 mgc: 0.01353916 ustep: 0.144461 iter: 56 value: -963.9049 mgc: 0.01344597 ustep: 0.2126682 iter: 57 value: -963.9059 mgc: 0.01329866 ustep: 0.2659527 iter: 58 value: -963.9086 mgc: 0.01310416 ustep: 0.5157544 iter: 59 value: -963.914 mgc: 0.01255764 ustep: 0.7181886 iter: 60 value: -963.9146 mgc: 0.01137682 ustep: 0.2093961 iter: 61 value: -963.9146 mgc: 0.01125545 ustep: 0.03750271 iter: 62 value: -963.9148 mgc: 0.01123762 ustep: 0.05240212 iter: 63 value: -963.9153 mgc: 0.01121238 ustep: 0.2289922 iter: 64 value: -963.917 mgc: 0.01107848 ustep: 0.4785835 iter: 65 value: -963.9176 mgc: 0.01067987 ustep: 0.2548726 iter: 66 value: -963.9192 mgc: 0.01053339 ustep: 0.5048986 iter: 67 value: -963.9204 mgc: 0.01011425 ustep: 0.4619864 iter: 68 value: -963.9207 mgc: 0.009773287 ustep: 0.1326148 iter: 69 value: -963.921 mgc: 0.009712954 ustep: 0.2026258 iter: 70 value: -963.9212 mgc: 0.009613705 ustep: 0.1388738 iter: 71 value: -963.9216 mgc: 0.009551129 ustep: 0.2079694 iter: 72 value: -963.922 mgc: 0.009450321 ustep: 0.2624719 iter: 73 value: -963.9233 mgc: 0.009315637 ustep: 0.5123689 iter: 74 value: -963.9243 mgc: 0.008934188 ustep: 0.4668754 iter: 75 value: -963.9247 mgc: 0.008627107 ustep: 0.2497804 iter: 76 value: -963.9257 mgc: 0.008511903 ustep: 0.4998304 iter: 77 value: -963.9277 mgc: 0.008179461 ustep: 0.7070161 iter: 78 value: -963.9281 mgc: 0.007448495 ustep: 0.3683101 iter: 79 value: -963.9283 mgc: 0.007277103 ustep: 0.2081494 iter: 80 value: -963.9289 mgc: 0.007200611 ustep: 0.4562883 iter: 81 value: -963.9302 mgc: 0.006964091 ustep: 0.6755236 iter: 82 value: -963.9303 mgc: 0.006421331 ustep: 0.1939465 iter: 83 value: -963.9304 mgc: 0.006359184 ustep: 0.1350841 iter: 84 value: -963.9305 mgc: 0.006319089 ustep: 0.1082181 iter: 85 value: -963.9306 mgc: 0.006288082 ustep: 0.1808558 iter: 86 value: -963.9307 mgc: 0.00623215 ustep: 0.1293006 iter: 87 value: -963.9307 mgc: 0.006194746 ustep: 0.1054281 iter: 88 value: -963.9308 mgc: 0.006165198 ustep: 0.09348916 iter: 89 value: -963.9309 mgc: 0.006139445 ustep: 0.1668143 iter: 90 value: -963.931 mgc: 0.006089837 ustep: 0.1229922 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006055278 outer mgc: 0.06884802 iter: 1 value: -87.41526 mgc: 22.05349 ustep: 0.0692153 iter: 2 value: -275.2156 mgc: 3381.586 ustep: 0.002381288 iter: 3 value: -389.7101 mgc: 34.49718 ustep: 0.04889356 iter: 4 value: -450.3444 mgc: 817.0423 ustep: 0.03075696 iter: 5 value: -577.653 mgc: 44.32298 ustep: 0.09194845 iter: 6 value: -626.3437 mgc: 1128.381 ustep: 0.04415613 iter: 7 value: -761.4288 mgc: 20.7276 ustep: 0.2102126 iter: 8 value: -796.3296 mgc: 1909.224 ustep: 0.07379655 iter: 9 value: -862.9824 mgc: 5.323869 ustep: 0.271728 iter: 10 value: -869.126 mgc: 608.4827 ustep: 0.01143812 iter: 11 value: -883.9733 mgc: 3.409584 ustep: 0.1070385 iter: 12 value: -915.3374 mgc: 49.77344 ustep: 0.3272346 iter: 13 value: -918.7539 mgc: 130.8713 ustep: 0.05164717 iter: 14 value: -929.3471 mgc: 12.03794 ustep: 0.2273374 iter: 15 value: -944.1248 mgc: 83.00559 ustep: 0.4768514 iter: 16 value: -945.0706 mgc: 230.6331 ustep: 0.03597378 iter: 17 value: -947.7579 mgc: 3.257658 ustep: 0.1897486 iter: 18 value: -952.7803 mgc: 85.28289 ustep: 0.4356578 iter: 19 value: -953.3415 mgc: 155.2542 ustep: 0.06518725 iter: 20 value: -954.9637 mgc: 7.272923 ustep: 0.2553924 iter: 21 value: -957.701 mgc: 130.6081 ustep: 0.5054131 iter: 22 value: -958.2035 mgc: 85.0275 ustep: 0.1436613 iter: 23 value: -959.2905 mgc: 33.26823 ustep: 0.3790889 iter: 24 value: -960.1536 mgc: 210.81 ustep: 0.3800752 iter: 25 value: -961.0334 mgc: 28.33215 ustep: 0.6165407 iter: 26 value: -961.5537 mgc: 520.0082 ustep: 0.09161564 iter: 27 value: -961.8409 mgc: 3.786856 ustep: 0.3027505 iter: 28 value: -962.3501 mgc: 134.9242 ustep: 0.5502726 iter: 29 value: -962.8427 mgc: 35.06831 ustep: 0.7418295 iter: 30 value: -963.0508 mgc: 280.3623 ustep: 0.3896537 iter: 31 value: -963.1899 mgc: 7.389727 ustep: 0.6242601 iter: 32 value: -963.3744 mgc: 279.7415 ustep: 0.5418217 iter: 33 value: -963.4816 mgc: 2.780969 ustep: 0.7361118 iter: 34 value: -963.6023 mgc: 209.3467 ustep: 0.6230873 iter: 35 value: -963.6869 mgc: 0.914879 ustep: 0.7893798 iter: 36 value: -963.7916 mgc: 87.37555 ustep: 0.8884817 iter: 37 value: -963.8603 mgc: 1.647512 ustep: 0.9425988 iter: 38 value: -963.8734 mgc: 34.51672 ustep: 0.8292659 iter: 39 value: -963.8851 mgc: 0.2496235 ustep: 0.9106493 iter: 40 value: -963.8855 mgc: 0.8948258 ustep: 0.3198667 iter: 41 value: -963.8866 mgc: 0.00769723 ustep: 0.565611 iter: 42 value: -963.8869 mgc: 0.00730596 ustep: 0.2943149 iter: 43 value: -963.887 mgc: 0.007182832 ustep: 0.09310533 iter: 44 value: -963.8872 mgc: 0.007152655 ustep: 0.1664374 iter: 45 value: -963.8873 mgc: 0.00709446 ustep: 0.1228212 iter: 46 value: -963.8874 mgc: 0.007053892 ustep: 0.102259 iter: 47 value: -963.8875 mgc: 0.007021049 ustep: 0.175269 iter: 48 value: -963.8877 mgc: 0.00696032 ustep: 0.2375522 iter: 49 value: -963.8878 mgc: 0.006872445 ustep: 0.08012323 iter: 50 value: -963.8881 mgc: 0.006847968 ustep: 0.2831322 iter: 51 value: -963.8888 mgc: 0.006738794 ustep: 0.5321484 iter: 52 value: -963.8902 mgc: 0.006438618 ustep: 0.7295121 iter: 53 value: -963.8904 mgc: 0.00579793 ustep: 0.3819069 iter: 54 value: -963.8907 mgc: 0.005654779 ustep: 0.38192 iter: 55 value: -963.8913 mgc: 0.005515148 ustep: 0.618035 iter: 56 value: -963.8925 mgc: 0.005172113 ustep: 0.7861734 iter: 57 value: -963.8939 mgc: 0.004495902 ustep: 0.8866755 iter: 58 value: -963.8943 mgc: 0.003402509 ustep: 0.7583467 iter: 59 value: -963.8943 mgc: 0.003012833 ustep: 0.2256526 iter: 60 value: -963.8943 mgc: 0.002977065 ustep: 0.01001365 iter: 61 value: -963.8943 mgc: 0.002975824 ustep: 0.1001582 iter: 62 value: -963.8944 mgc: 0.002962228 ustep: 0.3165462 iter: 63 value: -963.8944 mgc: 0.002906683 ustep: 0.3386554 iter: 64 value: -963.8946 mgc: 0.002846506 ustep: 0.5819828 iter: 65 value: -963.8946 mgc: 0.00269156 ustep: 0.3021312 iter: 66 value: -963.8946 mgc: 0.002644201 ustep: 0.1807935 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.002620272 outer mgc: 0.1555885 iter: 1 value: -86.87534 mgc: 22.10355 ustep: 0.0692153 iter: 2 value: -274.8051 mgc: 3390.586 ustep: 0.002381288 iter: 3 value: -389.4724 mgc: 34.46294 ustep: 0.04889356 iter: 4 value: -450.1884 mgc: 818.1463 ustep: 0.03075696 iter: 5 value: -577.632 mgc: 44.31474 ustep: 0.09194845 iter: 6 value: -626.3653 mgc: 1129.053 ustep: 0.04415613 iter: 7 value: -761.5295 mgc: 20.72588 ustep: 0.2102126 iter: 8 value: -796.4321 mgc: 1907.309 ustep: 0.07379655 iter: 9 value: -863.0762 mgc: 5.32401 ustep: 0.271728 iter: 10 value: -869.2343 mgc: 606.5557 ustep: 0.01143812 iter: 11 value: -884.0806 mgc: 3.40949 ustep: 0.1070385 iter: 12 value: -915.4359 mgc: 49.77726 ustep: 0.3272346 iter: 13 value: -918.8525 mgc: 130.8929 ustep: 0.05164717 iter: 14 value: -929.4404 mgc: 12.03894 ustep: 0.2273374 iter: 15 value: -944.2087 mgc: 83.1237 ustep: 0.4768514 iter: 16 value: -945.1544 mgc: 230.527 ustep: 0.03597378 iter: 17 value: -947.8399 mgc: 3.263658 ustep: 0.1897486 iter: 18 value: -952.8585 mgc: 85.39859 ustep: 0.4356578 iter: 19 value: -953.4195 mgc: 155.2071 ustep: 0.06518725 iter: 20 value: -955.0406 mgc: 7.281913 ustep: 0.2553924 iter: 21 value: -957.776 mgc: 130.6682 ustep: 0.5054131 iter: 22 value: -958.2783 mgc: 85.00574 ustep: 0.1436613 iter: 23 value: -959.3648 mgc: 33.28756 ustep: 0.3790889 iter: 24 value: -960.2275 mgc: 210.8137 ustep: 0.3800752 iter: 25 value: -961.1068 mgc: 28.34303 ustep: 0.6165407 iter: 26 value: -961.6271 mgc: 520.0251 ustep: 0.09161564 iter: 27 value: -961.9142 mgc: 3.788177 ustep: 0.3027505 iter: 28 value: -962.4233 mgc: 134.965 ustep: 0.5502726 iter: 29 value: -962.9158 mgc: 35.06585 ustep: 0.7418295 iter: 30 value: -963.1239 mgc: 280.449 ustep: 0.3896537 iter: 31 value: -963.263 mgc: 7.388135 ustep: 0.6242601 iter: 32 value: -963.4474 mgc: 279.7878 ustep: 0.5418217 iter: 33 value: -963.5546 mgc: 2.779907 ustep: 0.7361118 iter: 34 value: -963.6753 mgc: 209.3633 ustep: 0.6230873 iter: 35 value: -963.7599 mgc: 0.9142241 ustep: 0.7893798 iter: 36 value: -963.8646 mgc: 87.37433 ustep: 0.8884817 iter: 37 value: -963.8755 mgc: 1.647029 ustep: 0.5103966 iter: 38 value: -963.8946 mgc: 7.036783 ustep: 0.714449 iter: 39 value: -963.9043 mgc: 3.19298 ustep: 0.6065773 iter: 40 value: -963.921 mgc: 0.7746071 ustep: 0.7788529 iter: 41 value: -963.942 mgc: 0.9380401 ustep: 0.8825382 iter: 42 value: -963.943 mgc: 0.5734993 ustep: 0.2955571 iter: 43 value: -963.9455 mgc: 0.01198991 ustep: 0.5436973 iter: 44 value: -963.9504 mgc: 0.01142801 ustep: 0.7373846 iter: 45 value: -963.9573 mgc: 0.02018119 ustep: 0.8587251 iter: 46 value: -963.964 mgc: 0.01940358 ustep: 0.9266816 iter: 47 value: -963.9642 mgc: 0.007133459 ustep: 0.3368129 iter: 48 value: -963.9643 mgc: 0.005297634 ustep: 0.1951188 iter: 49 value: -963.9643 mgc: 0.005245509 ustep: 0.07026068 iter: 50 value: -963.9645 mgc: 0.00522931 ustep: 0.2651408 iter: 51 value: -963.9645 mgc: 0.005153578 ustep: 0.1654335 iter: 52 value: -963.9646 mgc: 0.005112385 ustep: 0.1223652 iter: 53 value: -963.9648 mgc: 0.005083569 ustep: 0.3498724 iter: 54 value: -963.965 mgc: 0.004974642 ustep: 0.3608559 iter: 55 value: -963.9651 mgc: 0.004862843 ustep: 0.20506 iter: 56 value: -963.9652 mgc: 0.004812275 ustep: 0.2603053 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.004744229 outer mgc: 0.1549997 iter: 1 value: -87.38813 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0791 mgc: 3385.86 ustep: 0.002381288 iter: 3 value: -389.6395 mgc: 34.45724 ustep: 0.04889356 iter: 4 value: -450.304 mgc: 817.5282 ustep: 0.03075696 iter: 5 value: -577.6602 mgc: 44.31473 ustep: 0.09194845 iter: 6 value: -626.3651 mgc: 1128.563 ustep: 0.04415613 iter: 7 value: -761.4768 mgc: 20.73274 ustep: 0.2102126 iter: 8 value: -796.3753 mgc: 1907.948 ustep: 0.07379655 iter: 9 value: -863.0212 mgc: 5.323161 ustep: 0.271728 iter: 10 value: -869.173 mgc: 607.4677 ustep: 0.01143812 iter: 11 value: -884.0198 mgc: 3.409414 ustep: 0.1070385 iter: 12 value: -915.3805 mgc: 49.77559 ustep: 0.3272346 iter: 13 value: -918.7971 mgc: 130.8833 ustep: 0.05164717 iter: 14 value: -929.3881 mgc: 12.03854 ustep: 0.2273374 iter: 15 value: -944.1616 mgc: 83.06696 ustep: 0.4768514 iter: 16 value: -945.1075 mgc: 230.5765 ustep: 0.03597378 iter: 17 value: -947.7939 mgc: 3.260739 ustep: 0.1897486 iter: 18 value: -952.8144 mgc: 85.35193 ustep: 0.4356578 iter: 19 value: -953.3755 mgc: 155.2342 ustep: 0.06518725 iter: 20 value: -954.9971 mgc: 7.278186 ustep: 0.2553924 iter: 21 value: -957.7334 mgc: 130.6258 ustep: 0.5054131 iter: 22 value: -958.2357 mgc: 85.01827 ustep: 0.1436613 iter: 23 value: -959.3224 mgc: 33.27307 ustep: 0.3790889 iter: 24 value: -960.1853 mgc: 210.8083 ustep: 0.3800752 iter: 25 value: -961.0648 mgc: 28.33427 ustep: 0.6165407 iter: 26 value: -961.5849 mgc: 519.9943 ustep: 0.09161564 iter: 27 value: -961.8721 mgc: 3.787044 ustep: 0.3027505 iter: 28 value: -962.3812 mgc: 134.9223 ustep: 0.5502726 iter: 29 value: -962.8737 mgc: 35.06949 ustep: 0.7418295 iter: 30 value: -963.0818 mgc: 280.3363 ustep: 0.3896537 iter: 31 value: -963.2209 mgc: 7.390375 ustep: 0.6242601 iter: 32 value: -963.4053 mgc: 279.7011 ustep: 0.5418217 iter: 33 value: -963.5125 mgc: 2.781438 ustep: 0.7361118 iter: 34 value: -963.6332 mgc: 209.3085 ustep: 0.6230873 iter: 35 value: -963.7178 mgc: 0.9153301 ustep: 0.7893798 iter: 36 value: -963.7646 mgc: 87.35635 ustep: 0.6659898 iter: 37 value: -963.7849 mgc: 0.9131586 ustep: 0.5711077 iter: 38 value: -963.7908 mgc: 6.263889 ustep: 0.2969225 iter: 39 value: -963.8055 mgc: 0.3335975 ustep: 0.5449515 iter: 40 value: -963.8076 mgc: 1.177705 ustep: 0.1542033 iter: 41 value: -963.8147 mgc: 0.02872836 ustep: 0.392748 iter: 42 value: -963.8305 mgc: 0.2012055 ustep: 0.6267335 iter: 43 value: -963.8347 mgc: 0.6685859 ustep: 0.3243428 iter: 44 value: -963.845 mgc: 0.04628199 ustep: 0.5695541 iter: 45 value: -963.8481 mgc: 0.2132716 ustep: 0.2961839 iter: 46 value: -963.8514 mgc: 0.02155863 ustep: 0.3248922 iter: 47 value: -963.853 mgc: 0.02092055 ustep: 0.1901966 iter: 48 value: -963.8535 mgc: 0.02061472 ustep: 0.06909894 iter: 49 value: -963.8558 mgc: 0.02051861 ustep: 0.2629405 iter: 50 value: -963.8585 mgc: 0.02006904 ustep: 0.3019913 iter: 51 value: -963.8655 mgc: 0.01954112 ustep: 0.5495824 iter: 52 value: -963.8786 mgc: 0.05481271 ustep: 0.7413641 iter: 53 value: -963.8798 mgc: 0.1236989 ustep: 0.2185415 iter: 54 value: -963.8833 mgc: 0.01587449 ustep: 0.4675375 iter: 55 value: -963.8906 mgc: 0.01531606 ustep: 0.6837988 iter: 56 value: -963.902 mgc: 0.02315349 ustep: 0.8269386 iter: 57 value: -963.9037 mgc: 0.03041583 ustep: 0.4512137 iter: 58 value: -963.904 mgc: 0.01138599 ustep: 0.1299465 iter: 59 value: -963.9041 mgc: 0.01131707 ustep: 0.05434213 iter: 60 value: -963.9047 mgc: 0.01129062 ustep: 0.2331907 iter: 61 value: -963.9064 mgc: 0.01115243 ustep: 0.4829499 iter: 62 value: -963.9078 mgc: 0.0107439 ustep: 0.4476659 iter: 63 value: -963.909 mgc: 0.01040096 ustep: 0.4247284 iter: 64 value: -963.909 mgc: 0.01009779 ustep: 0.03240813 iter: 65 value: -963.9094 mgc: 0.01008405 ustep: 0.1801046 iter: 66 value: -963.9104 mgc: 0.009994782 ustep: 0.4244449 iter: 67 value: -963.9114 mgc: 0.009703883 ustep: 0.4096449 iter: 68 value: -963.9117 mgc: 0.009437702 ustep: 0.2253932 iter: 69 value: -963.9129 mgc: 0.00932739 ustep: 0.4748084 iter: 70 value: -963.9152 mgc: 0.008996776 ustep: 0.6890945 iter: 71 value: -963.9188 mgc: 0.008252705 ustep: 0.8301342 iter: 72 value: -963.9189 mgc: 0.006883205 ustep: 0.07280534 iter: 73 value: -963.9191 mgc: 0.006861412 ustep: 0.2698977 iter: 74 value: -963.9193 mgc: 0.006760264 ustep: 0.1674179 iter: 75 value: -963.9197 mgc: 0.006705671 ustep: 0.4092265 iter: 76 value: -963.9199 mgc: 0.006522533 ustep: 0.2252174 iter: 77 value: -963.9201 mgc: 0.00644654 ustep: 0.2751437 iter: 78 value: -963.9202 mgc: 0.006348751 ustep: 0.1696027 iter: 79 value: -963.9206 mgc: 0.006296548 ustep: 0.4118872 iter: 80 value: -963.9209 mgc: 0.006122303 ustep: 0.4014786 iter: 81 value: -963.9217 mgc: 0.005959677 ustep: 0.6336601 iter: 82 value: -963.9221 mgc: 0.005566966 ustep: 0.5483348 iter: 83 value: -963.9222 mgc: 0.005303897 ustep: 0.1551305 iter: 84 value: -963.9223 mgc: 0.005264395 ustep: 0.2214707 iter: 85 value: -963.9225 mgc: 0.005203872 ustep: 0.272415 iter: 86 value: -963.9226 mgc: 0.005125374 ustep: 0.3085805 iter: 87 value: -963.9226 mgc: 0.005033422 ustep: 0.04939743 iter: 88 value: -963.9226 mgc: 0.005022738 ustep: 0.03093379 iter: 89 value: -963.9227 mgc: 0.005016183 ustep: 0.09222563 iter: 90 value: -963.9228 mgc: 0.004995403 ustep: 0.3037564 iter: 91 value: -963.9229 mgc: 0.004907683 ustep: 0.1814656 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.004863496 outer mgc: 0.02114561 iter: 1 value: -86.90269 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -274.9418 mgc: 3386.305 ustep: 0.002381288 iter: 3 value: -389.5432 mgc: 34.50292 ustep: 0.04889356 iter: 4 value: -450.2288 mgc: 817.6609 ustep: 0.03075696 iter: 5 value: -577.6248 mgc: 44.32301 ustep: 0.09194845 iter: 6 value: -626.3439 mgc: 1128.873 ustep: 0.04415613 iter: 7 value: -761.4815 mgc: 20.72073 ustep: 0.2102126 iter: 8 value: -796.3865 mgc: 1908.589 ustep: 0.07379655 iter: 9 value: -863.0377 mgc: 5.324718 ustep: 0.271728 iter: 10 value: -869.1875 mgc: 607.5707 ustep: 0.01143812 iter: 11 value: -884.0342 mgc: 3.40966 ustep: 0.1070385 iter: 12 value: -915.3929 mgc: 49.77511 ustep: 0.3272346 iter: 13 value: -918.8094 mgc: 130.8812 ustep: 0.05164717 iter: 14 value: -929.3995 mgc: 12.03834 ustep: 0.2273374 iter: 15 value: -944.172 mgc: 83.06243 ustep: 0.4768514 iter: 16 value: -945.1177 mgc: 230.5839 ustep: 0.03597378 iter: 17 value: -947.8041 mgc: 3.260581 ustep: 0.1897486 iter: 18 value: -952.8246 mgc: 85.3297 ustep: 0.4356578 iter: 19 value: -953.3857 mgc: 155.2272 ustep: 0.06518725 iter: 20 value: -955.0073 mgc: 7.276663 ustep: 0.2553924 iter: 21 value: -957.7438 mgc: 130.6506 ustep: 0.5054131 iter: 22 value: -958.2462 mgc: 85.0149 ustep: 0.1436613 iter: 23 value: -959.333 mgc: 33.28278 ustep: 0.3790889 iter: 24 value: -960.196 mgc: 210.8155 ustep: 0.3800752 iter: 25 value: -961.0755 mgc: 28.34095 ustep: 0.6165407 iter: 26 value: -961.5959 mgc: 520.0389 ustep: 0.09161564 iter: 27 value: -961.8832 mgc: 3.787993 ustep: 0.3027505 iter: 28 value: -962.1592 mgc: 134.9671 ustep: 0.3293499 iter: 29 value: -962.5781 mgc: 17.25959 ustep: 0.5739328 iter: 30 value: -962.879 mgc: 228.4831 ustep: 0.5076158 iter: 31 value: -963.0894 mgc: 8.157203 ustep: 0.7125003 iter: 32 value: -963.3182 mgc: 363.5534 ustep: 0.3715634 iter: 33 value: -963.4368 mgc: 1.686194 ustep: 0.609599 iter: 34 value: -963.6087 mgc: 121.2748 ustep: 0.7807902 iter: 35 value: -963.7416 mgc: 6.104529 ustep: 0.883635 iter: 36 value: -963.8384 mgc: 142.24 ustep: 0.9400246 iter: 37 value: -963.8799 mgc: 85.07028 ustep: 0.3535265 iter: 38 value: -963.8862 mgc: 32.82834 ustep: 0.3632702 iter: 39 value: -963.8944 mgc: 6.394422 ustep: 0.6027588 iter: 40 value: -963.9064 mgc: 2.370908 ustep: 0.7763978 iter: 41 value: -963.9204 mgc: 3.451017 ustep: 0.8811462 iter: 42 value: -963.9317 mgc: 1.007127 ustep: 0.9387 iter: 43 value: -963.9319 mgc: 0.4339749 ustep: 0.1948299 iter: 44 value: -963.9319 mgc: 0.006056526 ustep: 0.1354713 iter: 45 value: -963.9322 mgc: 0.00601777 ustep: 0.3681274 iter: 46 value: -963.9324 mgc: 0.005877122 ustep: 0.2080737 iter: 47 value: -963.9328 mgc: 0.005814382 ustep: 0.4562053 iter: 48 value: -963.9331 mgc: 0.005620819 ustep: 0.4302748 iter: 49 value: -963.9338 mgc: 0.005451855 ustep: 0.6559877 iter: 50 value: -963.9343 mgc: 0.005056234 ustep: 0.563996 iter: 51 value: -963.9343 mgc: 0.004801343 ustep: 0.1594794 iter: 52 value: -963.9344 mgc: 0.004764243 ustep: 0.2249993 iter: 53 value: -963.9345 mgc: 0.004708141 ustep: 0.2749852 iter: 54 value: -963.9347 mgc: 0.004635965 ustep: 0.3103588 iter: 55 value: -963.9347 mgc: 0.004551867 ustep: 0.0967708 iter: 56 value: -963.9348 mgc: 0.004531932 ustep: 0.311149 iter: 57 value: -963.9349 mgc: 0.004449406 ustep: 0.335024 iter: 58 value: -963.9351 mgc: 0.004359864 ustep: 0.3510078 iter: 59 value: -963.9351 mgc: 0.004265844 ustep: 0.2009846 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.004222545 outer mgc: 0.02123049 iter: 1 value: -87.13674 mgc: 22.07498 ustep: 0.0692153 iter: 2 value: -275.0103 mgc: 3386.066 ustep: 0.002381288 iter: 3 value: -389.5908 mgc: 34.48305 ustep: 0.04889356 iter: 4 value: -450.2658 mgc: 817.5996 ustep: 0.03075696 iter: 5 value: -577.6409 mgc: 44.32245 ustep: 0.09194845 iter: 6 value: -626.3528 mgc: 1128.727 ustep: 0.04415613 iter: 7 value: -761.4763 mgc: 20.72765 ustep: 0.2102126 iter: 8 value: -796.3779 mgc: 1908.264 ustep: 0.07379655 iter: 9 value: -863.0288 mgc: 5.323908 ustep: 0.271728 iter: 10 value: -869.1768 mgc: 607.4943 ustep: 0.01143812 iter: 11 value: -884.0235 mgc: 3.409536 ustep: 0.1070385 iter: 12 value: -915.3829 mgc: 49.77538 ustep: 0.3272346 iter: 13 value: -918.7994 mgc: 130.8909 ustep: 0.05164717 iter: 14 value: -929.3898 mgc: 12.03847 ustep: 0.2273374 iter: 15 value: -944.1624 mgc: 83.07397 ustep: 0.4768514 iter: 16 value: -945.1081 mgc: 230.5812 ustep: 0.03597378 iter: 17 value: -947.7944 mgc: 3.261341 ustep: 0.1897486 iter: 18 value: -952.8147 mgc: 85.3562 ustep: 0.4356578 iter: 19 value: -953.3758 mgc: 155.2297 ustep: 0.06518725 iter: 20 value: -954.9974 mgc: 7.278657 ustep: 0.2553924 iter: 21 value: -957.7337 mgc: 130.6417 ustep: 0.5054131 iter: 22 value: -958.2361 mgc: 85.01396 ustep: 0.1436613 iter: 23 value: -959.3228 mgc: 33.27903 ustep: 0.3790889 iter: 24 value: -960.1857 mgc: 210.8112 ustep: 0.3800752 iter: 25 value: -961.0652 mgc: 28.33784 ustep: 0.6165407 iter: 26 value: -961.5854 mgc: 520.0165 ustep: 0.09161564 iter: 27 value: -961.8726 mgc: 3.787532 ustep: 0.3027505 iter: 28 value: -962.3817 mgc: 134.9464 ustep: 0.5502726 iter: 29 value: -962.8743 mgc: 35.06632 ustep: 0.7418295 iter: 30 value: -963.0824 mgc: 280.4118 ustep: 0.3896537 iter: 31 value: -963.2215 mgc: 7.388668 ustep: 0.6242601 iter: 32 value: -963.4059 mgc: 279.7715 ustep: 0.5418217 iter: 33 value: -963.4771 mgc: 2.780192 ustep: 0.4862508 iter: 34 value: -963.5903 mgc: 76.92013 ustep: 0.6973472 iter: 35 value: -963.7132 mgc: 11.59193 ustep: 0.8350896 iter: 36 value: -963.8348 mgc: 86.32342 ustep: 0.913841 iter: 37 value: -963.8994 mgc: 4.718103 ustep: 0.9559547 iter: 38 value: -963.9244 mgc: 54.75526 ustep: 0.9777316 iter: 39 value: -963.9271 mgc: 0.6564555 ustep: 0.9888042 iter: 40 value: -963.9272 mgc: 3.587072 ustep: 0.924987 iter: 41 value: -963.9272 mgc: 0.00703659 ustep: 0.3348804 iter: 42 value: -963.9272 mgc: 0.0005399601 ustep: 0.5787307 iter: 43 value: -963.9272 mgc: 0.0005107502 ustep: 0.5108348 iter: 44 value: -963.9272 mgc: 0.0004894522 ustep: 0.4658707 iter: 45 value: -963.9272 mgc: 0.0004722751 ustep: 0.2493453 iter: 46 value: -963.9272 mgc: 0.0004658209 ustep: 0.499395 iter: 47 value: -963.9272 mgc: 0.0004471964 ustep: 0.1421 iter: 48 value: -963.9272 mgc: 0.0004441248 ustep: 0.2106905 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.0004392282 outer mgc: 0.01948755 iter: 1 value: -87.15458 mgc: 22.08202 ustep: 0.0692153 iter: 2 value: -275.0107 mgc: 3386.098 ustep: 0.002381288 iter: 3 value: -389.5919 mgc: 34.47708 ustep: 0.04889356 iter: 4 value: -450.2671 mgc: 817.5892 ustep: 0.03075696 iter: 5 value: -577.644 mgc: 44.31528 ustep: 0.09194845 iter: 6 value: -626.3562 mgc: 1128.709 ustep: 0.04415613 iter: 7 value: -761.482 mgc: 20.72583 ustep: 0.2102126 iter: 8 value: -796.3838 mgc: 1908.273 ustep: 0.07379655 iter: 9 value: -863.0301 mgc: 5.323972 ustep: 0.271728 iter: 10 value: -869.1837 mgc: 607.5442 ustep: 0.01143812 iter: 11 value: -884.0305 mgc: 3.409538 ustep: 0.1070385 iter: 12 value: -915.3906 mgc: 49.77532 ustep: 0.3272346 iter: 13 value: -918.8071 mgc: 130.8735 ustep: 0.05164717 iter: 14 value: -929.3978 mgc: 12.03841 ustep: 0.2273374 iter: 15 value: -944.1713 mgc: 83.05536 ustep: 0.4768514 iter: 16 value: -945.1171 mgc: 230.5792 ustep: 0.03597378 iter: 17 value: -947.8035 mgc: 3.259979 ustep: 0.1897486 iter: 18 value: -952.8242 mgc: 85.32543 ustep: 0.4356578 iter: 19 value: -953.3853 mgc: 155.2316 ustep: 0.06518725 iter: 20 value: -955.007 mgc: 7.276192 ustep: 0.2553924 iter: 21 value: -957.7435 mgc: 130.6347 ustep: 0.5054131 iter: 22 value: -958.2459 mgc: 85.01923 ustep: 0.1436613 iter: 23 value: -959.3327 mgc: 33.2768 ustep: 0.3790889 iter: 24 value: -960.1956 mgc: 210.8125 ustep: 0.3800752 iter: 25 value: -961.0752 mgc: 28.33737 ustep: 0.6165407 iter: 26 value: -961.5954 mgc: 520.0167 ustep: 0.09161564 iter: 27 value: -961.8827 mgc: 3.787503 ustep: 0.3027505 iter: 28 value: -962.3918 mgc: 134.9429 ustep: 0.5502726 iter: 29 value: -962.8843 mgc: 35.06784 ustep: 0.7418295 iter: 30 value: -963.0925 mgc: 280.3997 ustep: 0.3896537 iter: 31 value: -963.2316 mgc: 7.389189 ustep: 0.6242601 iter: 32 value: -963.416 mgc: 279.7579 ustep: 0.5418217 iter: 33 value: -963.5232 mgc: 2.780682 ustep: 0.7361118 iter: 34 value: -963.6115 mgc: 209.3474 ustep: 0.3860292 iter: 35 value: -963.6694 mgc: 0.8514627 ustep: 0.6213504 iter: 36 value: -963.6859 mgc: 35.12984 ustep: 0.3215981 iter: 37 value: -963.7198 mgc: 1.008677 ustep: 0.5671395 iter: 38 value: -963.7751 mgc: 7.399857 ustep: 0.7531113 iter: 39 value: -963.7763 mgc: 8.1255 ustep: 0.06124493 iter: 40 value: -963.7788 mgc: 0.03550851 ustep: 0.1325494 iter: 41 value: -963.7876 mgc: 0.07154347 ustep: 0.3641369 iter: 42 value: -963.8076 mgc: 0.4923829 ustep: 0.6034772 iter: 43 value: -963.8204 mgc: 1.413352 ustep: 0.5275706 iter: 44 value: -963.8448 mgc: 0.4559833 ustep: 0.7263679 iter: 45 value: -963.8792 mgc: 1.096604 ustep: 0.852287 iter: 46 value: -963.9127 mgc: 1.069575 ustep: 0.9232016 iter: 47 value: -963.9138 mgc: 0.4507061 ustep: 0.3328841 iter: 48 value: -963.9164 mgc: 0.01149705 ustep: 0.5770034 iter: 49 value: -963.9212 mgc: 0.01088593 ustep: 0.7596315 iter: 50 value: -963.9216 mgc: 0.009638806 ustep: 0.2262062 iter: 51 value: -963.9221 mgc: 0.009524864 ustep: 0.2758618 iter: 52 value: -963.9235 mgc: 0.009378745 ustep: 0.5252729 iter: 53 value: -963.9237 mgc: 0.008973181 ustep: 0.1488918 iter: 54 value: -963.9238 mgc: 0.008909526 ustep: 0.05911598 iter: 55 value: -963.9241 mgc: 0.008886724 ustep: 0.2432135 iter: 56 value: -963.9252 mgc: 0.008771635 ustep: 0.4932175 iter: 57 value: -963.926 mgc: 0.008436619 ustep: 0.4543578 iter: 58 value: -963.9264 mgc: 0.008159485 ustep: 0.2443796 iter: 59 value: -963.9272 mgc: 0.008053261 ustep: 0.4943982 iter: 60 value: -963.9273 mgc: 0.007744442 ustep: 0.07306851 iter: 61 value: -963.9276 mgc: 0.007719627 ustep: 0.2703849 iter: 62 value: -963.9285 mgc: 0.007604703 ustep: 0.5200334 iter: 63 value: -963.9302 mgc: 0.007282867 ustep: 0.7211613 iter: 64 value: -963.9304 mgc: 0.006587272 ustep: 0.2105363 iter: 65 value: -963.9306 mgc: 0.00651631 ustep: 0.2643762 iter: 66 value: -963.9311 mgc: 0.006422045 ustep: 0.5142238 iter: 67 value: -963.9316 mgc: 0.006156915 ustep: 0.4680907 iter: 68 value: -963.9325 mgc: 0.00594473 ustep: 0.6842031 iter: 69 value: -963.9328 mgc: 0.005463143 ustep: 0.3551614 iter: 70 value: -963.9329 mgc: 0.005343303 ustep: 0.2027027 iter: 71 value: -963.9329 mgc: 0.00528853 ustep: 0.1389072 iter: 72 value: -963.933 mgc: 0.005253995 ustep: 0.2079977 iter: 73 value: -963.9332 mgc: 0.005198344 ustep: 0.2624929 iter: 74 value: -963.9335 mgc: 0.005123963 ustep: 0.5123894 iter: 75 value: -963.9338 mgc: 0.004913078 ustep: 0.4668888 iter: 76 value: -963.934 mgc: 0.004743186 ustep: 0.4372168 iter: 77 value: -963.9342 mgc: 0.004596965 ustep: 0.4179424 iter: 78 value: -963.9346 mgc: 0.004465551 ustep: 0.64652 iter: 79 value: -963.9348 mgc: 0.004153474 ustep: 0.3346249 iter: 80 value: -963.9348 mgc: 0.004069347 ustep: 0.1942152 iter: 81 value: -963.9348 mgc: 0.00402941 ustep: 0.1352019 iter: 82 value: -963.9349 mgc: 0.004003666 ustep: 0.2048451 iter: 83 value: -963.9349 mgc: 0.003961675 ustep: 0.1398377 iter: 84 value: -963.9349 mgc: 0.003935347 ustep: 0.05685388 iter: 85 value: -963.935 mgc: 0.003925608 ustep: 0.2385167 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.003875626 outer mgc: 0.01959937 iter: 1 value: -87.17744 mgc: 22.06962 ustep: 0.0692153 iter: 2 value: -275.0536 mgc: 3384.723 ustep: 0.002381288 iter: 3 value: -389.6114 mgc: 34.49324 ustep: 0.04889356 iter: 4 value: -450.2762 mgc: 817.4559 ustep: 0.03075696 iter: 5 value: -577.6354 mgc: 44.32969 ustep: 0.09194845 iter: 6 value: -626.3426 mgc: 1128.705 ustep: 0.04415613 iter: 7 value: -761.4574 mgc: 20.72894 ustep: 0.2102126 iter: 8 value: -796.3603 mgc: 1908.784 ustep: 0.07379655 iter: 9 value: -863.0112 mgc: 5.323823 ustep: 0.271728 iter: 10 value: -869.1597 mgc: 607.8765 ustep: 0.01143812 iter: 11 value: -884.0067 mgc: 3.409516 ustep: 0.1070385 iter: 12 value: -915.3678 mgc: 49.77454 ustep: 0.3272346 iter: 13 value: -918.7844 mgc: 130.8857 ustep: 0.05164717 iter: 14 value: -929.3757 mgc: 12.03821 ustep: 0.2273374 iter: 15 value: -944.1499 mgc: 83.054 ustep: 0.4768514 iter: 16 value: -945.0957 mgc: 230.5987 ustep: 0.03597378 iter: 17 value: -947.7823 mgc: 3.260189 ustep: 0.1897486 iter: 18 value: -952.8033 mgc: 85.33553 ustep: 0.4356578 iter: 19 value: -953.3644 mgc: 155.2397 ustep: 0.06518725 iter: 20 value: -954.9862 mgc: 7.277241 ustep: 0.2553924 iter: 21 value: -957.7228 mgc: 130.6322 ustep: 0.5054131 iter: 22 value: -958.2252 mgc: 85.02081 ustep: 0.1436613 iter: 23 value: -959.3121 mgc: 33.2762 ustep: 0.3790889 iter: 24 value: -960.1751 mgc: 210.8174 ustep: 0.3800752 iter: 25 value: -961.0546 mgc: 28.33674 ustep: 0.6165407 iter: 26 value: -961.5749 mgc: 520.0409 ustep: 0.09161564 iter: 27 value: -961.8622 mgc: 3.787469 ustep: 0.3027505 iter: 28 value: -962.3713 mgc: 134.9489 ustep: 0.5502726 iter: 29 value: -962.8639 mgc: 35.06692 ustep: 0.7418295 iter: 30 value: -963.072 mgc: 280.4228 ustep: 0.3896537 iter: 31 value: -963.2111 mgc: 7.388758 ustep: 0.6242601 iter: 32 value: -963.3955 mgc: 279.7881 ustep: 0.5418217 iter: 33 value: -963.5027 mgc: 2.780251 ustep: 0.7361118 iter: 34 value: -963.6235 mgc: 209.3783 ustep: 0.6230873 iter: 35 value: -963.7081 mgc: 0.9142891 ustep: 0.7893798 iter: 36 value: -963.7549 mgc: 87.3878 ustep: 0.6659898 iter: 37 value: -963.7752 mgc: 0.9128953 ustep: 0.5711077 iter: 38 value: -963.7811 mgc: 6.266159 ustep: 0.2969225 iter: 39 value: -963.7874 mgc: 0.3336925 ustep: 0.3253946 iter: 40 value: -963.7904 mgc: 0.2998312 ustep: 0.1904041 iter: 41 value: -963.7923 mgc: 0.05742105 ustep: 0.1335274 iter: 42 value: -963.799 mgc: 0.0296567 ustep: 0.3654775 iter: 43 value: -963.8019 mgc: 0.1961524 ustep: 0.2069749 iter: 44 value: -963.8106 mgc: 0.03561755 ustep: 0.4549995 iter: 45 value: -963.8285 mgc: 0.2396637 ustep: 0.674569 iter: 46 value: -963.8565 mgc: 0.7025567 ustep: 0.8213394 iter: 47 value: -963.8874 mgc: 0.920519 ustep: 0.9062871 iter: 48 value: -963.8949 mgc: 0.5020251 ustep: 0.7808236 iter: 49 value: -963.8955 mgc: 0.03034775 ustep: 0.2356913 iter: 50 value: -963.8957 mgc: 0.01100277 ustep: 0.07969503 iter: 51 value: -963.8964 mgc: 0.01096379 ustep: 0.2823748 iter: 52 value: -963.8968 mgc: 0.01078966 ustep: 0.1726082 iter: 53 value: -963.898 mgc: 0.01069817 ustep: 0.4155199 iter: 54 value: -963.8985 mgc: 0.01039565 ustep: 0.2278646 iter: 55 value: -963.8999 mgc: 0.01027164 ustep: 0.4774039 iter: 56 value: -963.901 mgc: 0.009902059 ustep: 0.4440555 iter: 57 value: -963.902 mgc: 0.009589414 ustep: 0.4223837 iter: 58 value: -963.9041 mgc: 0.009311661 ustep: 0.6499456 iter: 59 value: -963.9055 mgc: 0.008656558 ustep: 0.5597298 iter: 60 value: -963.9055 mgc: 0.008230172 ustep: 0.04215526 iter: 61 value: -963.9056 mgc: 0.008215438 ustep: 0.108584 iter: 62 value: -963.9061 mgc: 0.00817486 ustep: 0.329588 iter: 63 value: -963.9066 mgc: 0.008014309 ustep: 0.3473858 iter: 64 value: -963.9067 mgc: 0.007844157 ustep: 0.1052756 iter: 65 value: -963.9067 mgc: 0.007806724 ustep: 0.04784519 iter: 66 value: -963.9068 mgc: 0.007790771 ustep: 0.1161409 iter: 67 value: -963.9073 mgc: 0.007749274 ustep: 0.3408604 iter: 68 value: -963.9075 mgc: 0.007589319 ustep: 0.1967906 iter: 69 value: -963.9081 mgc: 0.00751428 ustep: 0.4436665 iter: 70 value: -963.9081 mgc: 0.007277656 ustep: 0.03368061 iter: 71 value: -963.9083 mgc: 0.007267328 ustep: 0.1836044 iter: 72 value: -963.9088 mgc: 0.007201292 ustep: 0.428548 iter: 73 value: -963.9091 mgc: 0.00698755 ustep: 0.233368 iter: 74 value: -963.9092 mgc: 0.00690184 ustep: 0.1520683 iter: 75 value: -963.9096 mgc: 0.006851706 ustep: 0.3900203 iter: 76 value: -963.9096 mgc: 0.006677522 ustep: 0.05936474 iter: 77 value: -963.9097 mgc: 0.006660526 ustep: 0.1303459 iter: 78 value: -963.9099 mgc: 0.006620397 ustep: 0.2006667 iter: 79 value: -963.9104 mgc: 0.006553832 ustep: 0.4480136 iter: 80 value: -963.9104 mgc: 0.006345198 ustep: 0.1291588 iter: 81 value: -963.9107 mgc: 0.006307292 ustep: 0.3594508 iter: 82 value: -963.9115 mgc: 0.006166936 ustep: 0.5995822 iter: 83 value: -963.9128 mgc: 0.005813095 ustep: 0.7743495 iter: 84 value: -963.9129 mgc: 0.005098594 ustep: 0.2327197 iter: 85 value: -963.913 mgc: 0.005036187 ustep: 0.1517931 iter: 86 value: -963.9132 mgc: 0.004999624 ustep: 0.3896674 iter: 87 value: -963.9134 mgc: 0.004872381 ustep: 0.386994 iter: 88 value: -963.9135 mgc: 0.004749622 ustep: 0.385247 iter: 89 value: -963.9136 mgc: 0.004630711 ustep: 0.2151887 iter: 90 value: -963.9139 mgc: 0.004579241 ustep: 0.463938 iter: 91 value: -963.9139 mgc: 0.00442217 ustep: 0.2485092 iter: 92 value: -963.914 mgc: 0.004362931 ustep: 0.2918445 iter: 93 value: -963.9142 mgc: 0.004290293 ustep: 0.3219356 iter: 94 value: -963.9142 mgc: 0.00420816 ustep: 0.09942127 iter: 95 value: -963.9143 mgc: 0.004189145 ustep: 0.3153799 iter: 96 value: -963.9144 mgc: 0.004111232 ustep: 0.3378716 iter: 97 value: -963.9147 mgc: 0.004026646 ustep: 0.5813091 iter: 98 value: -963.9149 mgc: 0.003808596 ustep: 0.512568 iter: 99 value: -963.9149 mgc: 0.003650118 ustep: 0.1455315 iter: 100 value: -963.9149 mgc: 0.003624623 ustep: 0.1131749 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.003605618 outer mgc: 0.03788984 iter: 1 value: -87.11381 mgc: 22.08738 ustep: 0.0692153 iter: 2 value: -274.9674 mgc: 3387.441 ustep: 0.002381288 iter: 3 value: -389.5712 mgc: 34.46688 ustep: 0.04889356 iter: 4 value: -450.2567 mgc: 817.7328 ustep: 0.03075696 iter: 5 value: -577.6495 mgc: 44.30804 ustep: 0.09194845 iter: 6 value: -626.3663 mgc: 1128.731 ustep: 0.04415613 iter: 7 value: -761.501 mgc: 20.72454 ustep: 0.2102126 iter: 8 value: -796.4014 mgc: 1907.753 ustep: 0.07379655 iter: 9 value: -863.0476 mgc: 5.324057 ustep: 0.271728 iter: 10 value: -869.2007 mgc: 607.1621 ustep: 0.01143812 iter: 11 value: -884.0472 mgc: 3.409559 ustep: 0.1070385 iter: 12 value: -915.4056 mgc: 49.77616 ustep: 0.3272346 iter: 13 value: -918.8221 mgc: 130.8788 ustep: 0.05164717 iter: 14 value: -929.412 mgc: 12.03867 ustep: 0.2273374 iter: 15 value: -944.1838 mgc: 83.07533 ustep: 0.4768514 iter: 16 value: -945.1295 mgc: 230.5616 ustep: 0.03597378 iter: 17 value: -947.8157 mgc: 3.261132 ustep: 0.1897486 iter: 18 value: -952.8357 mgc: 85.34612 ustep: 0.4356578 iter: 19 value: -953.3967 mgc: 155.2216 ustep: 0.06518725 iter: 20 value: -955.0182 mgc: 7.27761 ustep: 0.2553924 iter: 21 value: -957.7544 mgc: 130.6442 ustep: 0.5054131 iter: 22 value: -958.2567 mgc: 85.01238 ustep: 0.1436613 iter: 23 value: -958.8615 mgc: 33.27964 ustep: 0.2119997 iter: 24 value: -960.0534 mgc: 75.21591 ustep: 0.4604882 iter: 25 value: -960.5079 mgc: 136.727 ustep: 0.2470192 iter: 26 value: -961.252 mgc: 31.18225 ustep: 0.4970606 iter: 27 value: -961.643 mgc: 281.7263 ustep: 0.2629972 iter: 28 value: -962.0804 mgc: 9.453889 ustep: 0.5128813 iter: 29 value: -962.3805 mgc: 340.4611 ustep: 0.270049 iter: 30 value: -962.5532 mgc: 3.91441 ustep: 0.30694 iter: 31 value: -962.8707 mgc: 69.29035 ustep: 0.5540663 iter: 32 value: -963.2333 mgc: 42.18841 ustep: 0.7443819 iter: 33 value: -963.5526 mgc: 119.3028 ustep: 0.8627894 iter: 34 value: -963.755 mgc: 33.21567 ustep: 0.9288717 iter: 35 value: -963.84 mgc: 168.0211 ustep: 0.8096127 iter: 36 value: -963.8615 mgc: 6.963853 ustep: 0.6833797 iter: 37 value: -963.8837 mgc: 87.00488 ustep: 0.5836306 iter: 38 value: -963.8842 mgc: 2.18698 ustep: 0.04409214 iter: 39 value: -963.8868 mgc: 0.1239046 ustep: 0.2100603 iter: 40 value: -963.8881 mgc: 1.584187 ustep: 0.1420951 iter: 41 value: -963.8924 mgc: 0.3837099 ustep: 0.3770173 iter: 42 value: -963.8942 mgc: 1.72872 ustep: 0.2117645 iter: 43 value: -963.899 mgc: 0.2187372 ustep: 0.4602327 iter: 44 value: -963.9028 mgc: 0.9482762 ustep: 0.4328912 iter: 45 value: -963.9105 mgc: 0.430321 ustep: 0.6579789 iter: 46 value: -963.9221 mgc: 1.208641 ustep: 0.8111779 iter: 47 value: -963.9238 mgc: 1.571938 ustep: 0.4384897 iter: 48 value: -963.9276 mgc: 0.05149582 ustep: 0.6622194 iter: 49 value: -963.9336 mgc: 0.1508784 ustep: 0.8137872 iter: 50 value: -963.9406 mgc: 0.2038272 ustep: 0.9021114 iter: 51 value: -963.9407 mgc: 0.1166438 ustep: 0.1704484 iter: 52 value: -963.9409 mgc: 0.006478764 ustep: 0.2337604 iter: 53 value: -963.941 mgc: 0.006398884 ustep: 0.1522348 iter: 54 value: -963.9414 mgc: 0.00635221 ustep: 0.3902337 iter: 55 value: -963.9422 mgc: 0.006190111 ustep: 0.6247244 iter: 56 value: -963.9422 mgc: 0.005795208 ustep: 0.09300347 iter: 57 value: -963.9423 mgc: 0.005770985 ustep: 0.1663373 iter: 58 value: -963.9425 mgc: 0.005724229 ustep: 0.2304991 iter: 59 value: -963.9429 mgc: 0.005654879 ustep: 0.4801552 iter: 60 value: -963.9432 mgc: 0.005448752 ustep: 0.4458463 iter: 61 value: -963.9435 mgc: 0.005275594 ustep: 0.4235467 iter: 62 value: -963.9441 mgc: 0.005122572 ustep: 0.6508396 iter: 63 value: -963.9442 mgc: 0.004760844 ustep: 0.3369125 iter: 64 value: -963.9442 mgc: 0.004664175 ustep: 0.1028609 iter: 65 value: -963.9444 mgc: 0.004642459 ustep: 0.3207873 iter: 66 value: -963.9445 mgc: 0.004554637 ustep: 0.3415012 iter: 67 value: -963.9449 mgc: 0.004460135 ustep: 0.5844226 iter: 68 value: -963.9451 mgc: 0.004217362 ustep: 0.514664 iter: 69 value: -963.9453 mgc: 0.004041674 ustep: 0.4683792 iter: 70 value: -963.9455 mgc: 0.003900635 ustep: 0.4381857 iter: 71 value: -963.9455 mgc: 0.003779531 ustep: 0.2374618 iter: 72 value: -963.9457 mgc: 0.00373177 ustep: 0.4873518 iter: 73 value: -963.9458 mgc: 0.003591285 ustep: 0.4505334 iter: 74 value: -963.9458 mgc: 0.003473954 ustep: 0.1297789 iter: 75 value: -963.9459 mgc: 0.003452739 ustep: 0.2001752 iter: 76 value: -963.9459 mgc: 0.00341749 ustep: 0.2566472 iter: 77 value: -963.9461 mgc: 0.003369526 ustep: 0.5066529 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.003232488 outer mgc: 0.03721908 iter: 1 value: -87.2114 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0762 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.657 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.3321 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.7082 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.4202 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.5449 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.4466 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0951 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.2459 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0927 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.4524 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.869 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.4595 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.2325 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1783 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.8647 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8852 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.4463 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0679 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.8043 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.3067 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3934 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.2564 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.1359 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.6561 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.9433 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.4524 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.945 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.1531 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2922 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4766 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5838 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.7046 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7892 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8938 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.9048 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.9082 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.9091 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.9127 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.9165 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.9183 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.9239 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.9287 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.939 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.9396 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.9407 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.9442 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.952 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.965 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9806 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9813 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.982 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9827 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9845 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9847 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9851 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9853 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.986 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9866 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9881 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9885 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9889 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.989 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9893 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9897 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9898 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9901 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9902 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9904 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9905 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9906 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9906 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9907 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9907 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.01775996 iter: 1 value: -87.08003 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -274.9448 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5257 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2008 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.5768 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.2888 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4135 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3152 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -862.9638 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1145 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -883.9613 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3211 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.7376 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3282 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1012 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.0469 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7333 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.7538 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3149 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -954.9365 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.6729 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.1753 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.262 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.125 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0045 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5248 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.812 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3211 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8136 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0218 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.1608 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.3453 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.4525 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.5732 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.6578 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.7625 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.7734 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.7769 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.7777 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.7813 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.7852 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.787 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.7925 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.7973 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8077 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8083 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8093 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8129 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8206 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8336 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.8493 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.8499 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.8506 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.8514 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.8531 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.8534 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.8537 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.8539 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.8546 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.8552 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.8567 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.8571 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.8575 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.8576 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.858 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.8584 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.8584 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.8588 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.8588 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.859 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.8591 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.8592 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.8592 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.8593 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.8593 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.01774733 iter: 1 value: -87.20836 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0732 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.654 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.3291 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.7051 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.4171 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.5418 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.4435 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0921 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.2429 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0896 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.4494 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8659 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.4565 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.2295 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1753 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.8616 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8821 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.4432 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0649 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.8013 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.3036 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3904 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.2533 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.1328 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.6531 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.9403 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.4494 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.942 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.1501 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2892 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4736 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5808 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.7015 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7861 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8908 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.9017 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.9052 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.9061 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.9096 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.9135 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.9153 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.9209 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.9256 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.936 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.9366 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.9377 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.9412 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.949 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.962 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9776 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9782 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.979 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9797 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9814 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9817 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.982 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9822 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9829 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9835 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.985 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9854 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9858 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9859 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9863 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9867 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9868 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9871 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9871 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9873 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9874 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9875 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9876 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9876 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9877 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.01657033 iter: 1 value: -87.08308 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -274.9479 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5287 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2038 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.5799 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.2919 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4166 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3182 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -862.9668 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1176 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -883.9644 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3241 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.7406 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3312 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1042 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.05 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7364 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.7568 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.318 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -954.9396 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.676 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.1783 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.2651 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.128 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0075 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5278 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.815 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3241 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8167 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0248 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.1639 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.3483 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.4555 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.5763 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.6608 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.7655 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.7765 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.7799 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.7808 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.7844 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.7882 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.79 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.7956 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8003 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8107 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8113 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8124 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8159 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8237 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8367 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.8523 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.853 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.8537 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.8544 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.8562 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.8564 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.8567 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.8569 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.8576 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.8583 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.8598 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.8601 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.8606 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.8607 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.861 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.8614 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.8615 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.8618 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.8619 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.8621 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.8622 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.8623 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.8623 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.8623 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.8624 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.01655744 iter: 1 value: -86.88743 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -274.7522 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.3331 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.0082 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.3842 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.0962 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.2209 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.1226 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -862.7712 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -868.9219 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -883.7687 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.1285 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.545 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.1355 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -943.9086 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -944.8543 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.5407 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.5612 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.1223 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -954.7439 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.4803 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -957.9827 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.0694 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -959.9324 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -960.8119 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.3322 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.6194 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.1285 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.621 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -962.8292 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -962.9682 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.1527 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.2599 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.3806 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.4652 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.5699 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.5808 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.5843 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.5851 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.5887 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.5926 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.5944 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.5999 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.6047 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.6151 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.6157 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.6167 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.6203 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.628 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.641 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.6567 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.6573 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.658 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.6588 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.6605 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.6608 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.6611 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.6613 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.662 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.6626 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.6641 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.6645 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.6649 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.665 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.6654 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.6658 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.6658 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.6662 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.6662 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.6664 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.6665 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.6666 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.6666 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.6667 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.6667 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.06929897 iter: 1 value: -87.404 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.2688 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.8496 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.5247 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.9008 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.6128 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.7375 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.6392 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.2877 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.4385 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.2853 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.645 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -919.0616 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.6521 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.4251 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.3709 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -948.0573 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -953.0778 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.6389 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.2605 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.9969 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.4993 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.586 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.4489 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.3285 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.8487 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -962.1359 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.645 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -963.1376 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.3457 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.4848 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.6692 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.7764 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.8972 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.9818 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -964.0864 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -964.0974 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -964.1008 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -964.1017 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -964.1053 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -964.1091 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -964.1109 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -964.1165 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -964.1213 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -964.1316 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -964.1322 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -964.1333 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -964.1368 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -964.1446 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -964.1576 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -964.1732 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -964.1739 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -964.1746 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -964.1753 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -964.1771 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -964.1773 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -964.1777 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -964.1779 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -964.1786 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -964.1792 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -964.1807 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -964.1811 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -964.1815 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -964.1816 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -964.1819 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -964.1823 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -964.1824 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -964.1827 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -964.1828 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -964.183 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -964.1831 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -964.1832 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -964.1832 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -964.1832 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -964.1833 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.06936474 iter: 1 value: -87.14552 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0103 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5912 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2663 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6423 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3543 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.479 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3807 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0293 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.18 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0268 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3866 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8031 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3936 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1667 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1124 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7988 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8193 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3804 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.002 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7384 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2408 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3275 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1905 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.07 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5903 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8775 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3866 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8791 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0873 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2263 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4108 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.518 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6387 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7233 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.828 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8389 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8424 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8432 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8468 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8507 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8525 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.858 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8628 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8732 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8738 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8748 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8784 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8861 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8991 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9148 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9154 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9161 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9169 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9186 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9189 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9192 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9194 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9201 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9207 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9222 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9226 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.923 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9231 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9235 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9239 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9239 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9243 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9243 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9245 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9246 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9247 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9247 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9248 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9248 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.3552307 iter: 1 value: -87.14552 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0103 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5912 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2663 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6423 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3543 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.479 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3807 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0293 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.18 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0268 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3866 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8031 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3936 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1667 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1124 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7988 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8193 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3804 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.002 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7384 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2408 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3275 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1905 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.07 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5903 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8775 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3866 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8791 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0873 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2263 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4108 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.518 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6387 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7233 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.828 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8389 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8424 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8432 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8468 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8507 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8525 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.858 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8628 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8732 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8738 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8748 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8784 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8861 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8991 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9148 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9154 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9161 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9169 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9186 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9189 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9192 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9194 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9201 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9207 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9222 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9226 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.923 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9231 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9235 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9239 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9239 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9243 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9243 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9245 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9246 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9247 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9247 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9248 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9248 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.3552307 iter: 1 value: -87.14544 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0103 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5911 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2662 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6422 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3542 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4789 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3806 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0292 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.18 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0267 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3865 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.803 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3936 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1666 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1123 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7987 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8192 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3803 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.002 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7384 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2407 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3275 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1904 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0699 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5902 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8774 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3865 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8791 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0872 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2263 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4107 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5179 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6386 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7232 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8279 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8388 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8423 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8432 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8467 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8506 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8524 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.858 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8627 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8731 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8737 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8748 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8783 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8861 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8991 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9147 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9153 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.916 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9168 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9185 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9188 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9191 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9193 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.92 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9206 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9221 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9225 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9229 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.923 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9234 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9238 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9239 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9242 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9242 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9244 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9245 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9246 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9247 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9247 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9248 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.5077089 iter: 1 value: -87.14544 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0103 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5911 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2662 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6422 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3542 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4789 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3806 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0292 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.18 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0267 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3865 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.803 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3936 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1666 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1123 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7987 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8192 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3803 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.002 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7384 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2407 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3275 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1904 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0699 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5902 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8774 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3865 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8791 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0872 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2263 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4107 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5179 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6386 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7232 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8279 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8388 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8423 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8432 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8467 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8506 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8524 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.858 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8627 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8731 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8737 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8748 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8783 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8861 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8991 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9147 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9153 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.916 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9168 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9185 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9188 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9191 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9193 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.92 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9206 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9221 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9225 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9229 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.923 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9234 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9238 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9239 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9242 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9242 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9244 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9245 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9246 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9247 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9247 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9248 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.5077089 iter: 1 value: -87.14543 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0102 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5911 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2662 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6422 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3542 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4789 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3806 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0292 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.18 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0267 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3865 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.803 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3936 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1666 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1123 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7987 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8192 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3803 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.002 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7383 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2407 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3275 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1904 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0699 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5902 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8774 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3865 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.879 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0872 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2263 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4107 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5179 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6386 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7232 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8279 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8388 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8423 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8431 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8467 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8506 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8524 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.858 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8627 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8731 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8737 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8748 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8783 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8861 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8991 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9147 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9153 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.916 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9168 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9185 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9188 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9191 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9193 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.92 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9206 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9221 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9225 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9229 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.923 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9234 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9238 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9239 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9242 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9242 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9244 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9245 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9246 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9247 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9247 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9247 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.524102 iter: 1 value: -87.14543 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0102 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5911 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2662 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6422 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3542 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4789 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3806 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0292 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.18 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0267 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3865 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.803 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3936 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1666 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1123 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7987 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8192 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3803 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.002 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7383 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2407 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3275 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1904 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0699 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5902 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8774 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3865 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.879 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0872 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2263 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4107 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5179 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6386 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7232 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8279 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8388 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8423 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8431 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8467 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8506 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8524 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.858 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8627 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8731 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8737 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8748 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8783 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8861 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8991 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9147 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9153 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.916 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9168 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9185 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9188 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9191 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9193 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.92 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9206 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9221 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9225 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9229 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.923 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9234 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9238 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9239 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9242 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9242 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9244 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9245 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9246 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9247 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9247 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9247 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.524102 iter: 1 value: -87.14543 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0102 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5911 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2662 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6422 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3542 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4789 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3806 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0292 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.18 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0267 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3865 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.803 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3936 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1666 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1123 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7987 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8192 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3803 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.002 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7383 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2407 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3275 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1904 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0699 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5902 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8774 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3865 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.879 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0872 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2263 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4107 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5179 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6386 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7232 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8279 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8388 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8423 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8431 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8467 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8506 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8524 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.858 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8627 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8731 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8737 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8748 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8783 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8861 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8991 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9147 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9153 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.916 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9168 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9185 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9188 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9191 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9193 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.92 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9206 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9221 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9225 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9229 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.923 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9234 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9238 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9239 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9242 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9242 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9244 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9245 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9246 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9247 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9247 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9247 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.5213755 iter: 1 value: -87.14543 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0102 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5911 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2662 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6422 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3542 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4789 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3806 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0292 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.18 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0267 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3865 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.803 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3936 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1666 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1123 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7987 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8192 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3803 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.002 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7383 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2407 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3275 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1904 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0699 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5902 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8774 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3865 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.879 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0872 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2263 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4107 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5179 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6386 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7232 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8279 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8388 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8423 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8431 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8467 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8506 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8524 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.858 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8627 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8731 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8737 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8748 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8783 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8861 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8991 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9147 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9153 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.916 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9168 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9185 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9188 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9191 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9193 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.92 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9206 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9221 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9225 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9229 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.923 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9234 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9238 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9239 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9242 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9242 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9244 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9245 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9246 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9247 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9247 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9247 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.5213755 iter: 1 value: -87.14545 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0103 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5911 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2662 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6422 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3542 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4789 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3806 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0292 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.18 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0267 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3865 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.803 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3936 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1666 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1124 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7987 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8192 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3803 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.002 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7384 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2407 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3275 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1904 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0699 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5902 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8774 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3865 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8791 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0872 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2263 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4107 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5179 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6386 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7232 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8279 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8388 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8423 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8432 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8467 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8506 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8524 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.858 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8627 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8731 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8737 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8748 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8783 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8861 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8991 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9147 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9154 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9161 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9168 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9186 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9188 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9191 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9193 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.92 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9207 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9221 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9225 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.923 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.923 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9234 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9238 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9239 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9242 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9242 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9244 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9246 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9246 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9247 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9247 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9248 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.4898569 iter: 1 value: -87.14545 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0103 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5911 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2662 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6422 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3542 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4789 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3806 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0292 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.18 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0267 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3865 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.803 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3936 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1666 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1124 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7987 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8192 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3803 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.002 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7384 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2407 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3275 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1904 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0699 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5902 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8774 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3865 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8791 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0872 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2263 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4107 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5179 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6386 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7232 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8279 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8388 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8423 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8432 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8467 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8506 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8524 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.858 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8627 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8731 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8737 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8748 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8783 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8861 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8991 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9147 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9154 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9161 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9168 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9186 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9188 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9191 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9193 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.92 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9207 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9221 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9225 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.923 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.923 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9234 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9238 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9239 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9242 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9242 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9244 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9246 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9246 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9247 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9247 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9248 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.4898569 iter: 1 value: -87.14547 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0103 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5911 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2662 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6423 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3543 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.479 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3806 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0292 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.18 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0268 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3865 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8031 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3936 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1666 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1124 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7988 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8193 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3804 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.002 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7384 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2408 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3275 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1904 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0699 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5902 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8774 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3865 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8791 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0872 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2263 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4107 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5179 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6387 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7232 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8279 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8389 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8423 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8432 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8468 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8506 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8524 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.858 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8628 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8731 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8737 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8748 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8783 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8861 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8991 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9147 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9154 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9161 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9168 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9186 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9188 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9192 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9194 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.92 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9207 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9222 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9226 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.923 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9231 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9234 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9238 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9239 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9242 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9243 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9245 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9246 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9247 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9247 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9247 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9248 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.4344916 iter: 1 value: -87.14547 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0103 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5911 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2662 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6423 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3543 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.479 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3806 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0292 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.18 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0268 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3865 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8031 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3936 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1666 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1124 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7988 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8193 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3804 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.002 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7384 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2408 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3275 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1904 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0699 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5902 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8774 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3865 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8791 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0872 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2263 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4107 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5179 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6387 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7232 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8279 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8389 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8423 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8432 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8468 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8506 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8524 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.858 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8628 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8731 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8737 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8748 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8783 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8861 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8991 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9147 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9154 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9161 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9168 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9186 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9188 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9192 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9194 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.92 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9207 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9222 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9226 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.923 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9231 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9234 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9238 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9239 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9242 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9243 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9245 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9246 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9247 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9247 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9247 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9248 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.4344916 iter: 1 value: -87.14551 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0103 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5912 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2663 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6423 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3543 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.479 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3807 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0293 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.18 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0268 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3866 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8031 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3937 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1667 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1124 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7988 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8193 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3804 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.002 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7384 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2408 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3275 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1905 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.07 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5903 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8775 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3866 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8791 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0873 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2263 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4108 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.518 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6387 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7233 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.828 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8389 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8424 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8432 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8468 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8507 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8525 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.858 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8628 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8732 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8738 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8748 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8784 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8861 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8992 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9148 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9154 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9161 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9169 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9186 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9189 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9192 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9194 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9201 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9207 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9222 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9226 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.923 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9231 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9235 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9239 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9239 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9243 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9243 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9245 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9246 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9247 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9247 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9248 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9248 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.346182 iter: 1 value: -87.14551 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0103 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5912 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2663 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6423 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3543 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.479 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3807 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0293 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.18 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0268 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3866 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8031 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3937 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1667 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1124 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7988 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8193 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3804 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.002 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7384 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2408 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3275 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1905 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.07 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5903 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8775 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3866 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8791 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0873 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2263 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4108 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.518 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6387 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7233 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.828 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8389 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8424 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8432 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8468 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8507 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8525 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.858 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8628 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8732 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8738 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8748 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8784 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8861 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8992 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9148 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9154 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9161 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9169 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9186 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9189 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9192 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9194 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9201 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9207 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9222 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9226 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.923 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9231 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9235 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9239 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9239 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9243 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9243 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9245 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9246 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9247 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9247 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9248 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9248 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.346182 iter: 1 value: -87.14555 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0104 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5912 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2663 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6424 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3544 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4791 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3807 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0293 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1801 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0268 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3866 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8031 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3937 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1667 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1125 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7989 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8193 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3805 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0021 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7385 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2408 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3276 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1905 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.07 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5903 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8775 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3866 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8792 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0873 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2264 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4108 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.518 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6388 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7233 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.828 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8389 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8424 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8433 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8468 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8507 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8525 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8581 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8628 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8732 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8738 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8749 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8784 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8862 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8992 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9148 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9155 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9162 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9169 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9187 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9189 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9192 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9194 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9201 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9208 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9222 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9226 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9231 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9232 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9235 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9239 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.924 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9243 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9243 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9245 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9247 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9247 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9248 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9248 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9249 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.2751134 iter: 1 value: -87.14555 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0104 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5912 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2663 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6424 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3544 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4791 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3807 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0293 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1801 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0268 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3866 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8031 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3937 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1667 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1125 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7989 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8193 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3805 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0021 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7385 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2408 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3276 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1905 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.07 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5903 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8775 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3866 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8792 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0873 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2264 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4108 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.518 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6388 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7233 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.828 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8389 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8424 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8433 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8468 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8507 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8525 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8581 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8628 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8732 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8738 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8749 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8784 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8862 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8992 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9148 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9155 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9162 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9169 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9187 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9189 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9192 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9194 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9201 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9208 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9222 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9226 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9231 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9232 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9235 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9239 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.924 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9243 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9243 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9245 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9247 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9247 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9248 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9248 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9249 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.2751134 iter: 1 value: -87.14559 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0104 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5913 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2663 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6424 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3544 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4791 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3808 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0294 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1801 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0269 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3866 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8032 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3937 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1667 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1125 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7989 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8194 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3805 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0021 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7385 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2409 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3276 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1906 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0701 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5903 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8776 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3867 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8792 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0874 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2264 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4108 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5181 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6388 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7234 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8281 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.839 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8425 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8433 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8469 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8507 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8526 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8581 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8629 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8733 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8738 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8749 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8784 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8862 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8992 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9148 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9155 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9162 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9169 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9187 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9189 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9193 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9195 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9202 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9208 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9223 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9227 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9231 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9232 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9236 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9239 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.924 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9244 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9244 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9246 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9247 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9248 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9248 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9249 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9249 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.1870503 iter: 1 value: -87.14559 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0104 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5913 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2663 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6424 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3544 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4791 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3808 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0294 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1801 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0269 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3866 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8032 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3937 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1667 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1125 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7989 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8194 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3805 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0021 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7385 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2409 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3276 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1906 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0701 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5903 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8776 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3867 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8792 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0874 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2264 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4108 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5181 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6388 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7234 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8281 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.839 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8425 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8433 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8469 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8507 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8526 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8581 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8629 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8733 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8738 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8749 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8784 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8862 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8992 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9148 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9155 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9162 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9169 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9187 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9189 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9193 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9195 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9202 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9208 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9223 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9227 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9231 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9232 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9236 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9239 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.924 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9244 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9244 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9246 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9247 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9248 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9248 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9249 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9249 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.1870503 iter: 1 value: -87.07994 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -274.9448 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5256 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2007 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.5767 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.2887 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4134 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3151 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -862.9637 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1144 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -883.9612 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.321 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.7375 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3281 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1011 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.0468 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7332 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.7537 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3148 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -954.9365 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.6728 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.1752 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.262 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1249 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0044 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5247 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8119 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.321 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8135 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0217 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.1608 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.3452 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.4524 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.5731 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.6577 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.7624 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.7733 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.7768 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.7776 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.7812 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.7851 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.7869 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.7925 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.7972 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8076 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8082 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8093 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8128 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8206 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8336 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.8492 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.8498 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.8505 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.8513 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.853 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.8533 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.8536 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.8538 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.8545 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.8551 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.8566 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.857 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.8574 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.8575 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.8579 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.8583 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.8584 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.8587 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.8587 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.8589 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.859 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.8591 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.8592 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.8592 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.8592 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.1692497 iter: 1 value: -87.21137 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0762 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.657 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.3321 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.7082 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.4202 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.5449 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.4465 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0951 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.2459 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0927 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.4524 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8689 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.4595 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.2325 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1783 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.8647 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8851 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.4463 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0679 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.8043 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.3066 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3934 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.2563 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.1358 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.6561 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.9433 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.4524 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.945 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.1531 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2922 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4766 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5838 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.7046 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7891 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8938 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.9048 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.9082 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.9091 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.9127 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.9165 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.9183 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.9239 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.9286 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.939 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.9396 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.9407 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.9442 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.952 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.965 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9806 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9813 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.982 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9827 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9845 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9847 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.985 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9852 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9859 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9866 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.988 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9884 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9889 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.989 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9893 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9897 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9898 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9901 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9902 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9903 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9905 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9905 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9906 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9906 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9907 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.1692256 iter: 1 value: -87.18234 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0471 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.628 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.3031 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6791 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3911 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.5158 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.4175 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0661 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.2168 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0636 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.4234 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8399 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.4305 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.2035 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1492 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.8356 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8561 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.4172 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0388 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7752 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2776 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3643 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.2273 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.1068 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.6271 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.9143 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.4234 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.9159 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.1241 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2631 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4476 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5548 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6755 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7601 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8648 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8757 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8792 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.88 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8836 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8875 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8893 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8948 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8996 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.91 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.9106 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.9116 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.9152 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.9229 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.936 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9516 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9522 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9529 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9537 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9554 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9557 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.956 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9562 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9569 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9575 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.959 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9594 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9598 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9599 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9603 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9607 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9607 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9611 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9611 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9613 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9614 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9615 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9615 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9616 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9616 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.05313563 iter: 1 value: -87.10908 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -274.9739 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5547 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2298 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6059 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3179 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4426 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3442 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -862.9928 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1436 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -883.9904 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3501 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.7666 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3572 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1302 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.076 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7624 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.7828 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.344 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -954.9656 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.702 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2043 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.2911 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.154 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0335 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5538 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.841 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3501 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8427 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0508 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.1899 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.3743 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.4815 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6023 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.6868 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.7915 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8025 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8059 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8068 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8104 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8142 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.816 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8216 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8263 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8367 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8373 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8384 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8419 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8497 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8627 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.8783 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.879 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.8797 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.8804 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.8822 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.8824 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.8827 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.8829 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.8836 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.8843 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.8858 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.8862 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.8866 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.8867 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.887 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.8874 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.8875 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.8878 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.8879 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.8881 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.8882 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.8883 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.8883 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.8883 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.8884 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.05310935 iter: 1 value: -87.19566 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0605 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.6413 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.3164 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6924 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.4044 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.5291 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.4308 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0794 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.2302 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0769 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.4367 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8532 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.4438 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.2168 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1626 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.8489 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8694 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.4305 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0522 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7886 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2909 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3777 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.2406 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.1201 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.6404 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.9276 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.4367 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.9293 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.1374 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2765 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4609 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5681 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6888 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7734 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8781 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.889 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8925 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8934 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8969 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.9008 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.9026 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.9082 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.9129 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.9233 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.9239 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.925 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.9285 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.9363 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.9493 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9649 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9656 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9663 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.967 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9688 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.969 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9693 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9695 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9702 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9709 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9723 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9727 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9732 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9732 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9736 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.974 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9741 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9744 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9744 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9746 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9748 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9748 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9749 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9749 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.975 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.05620053 iter: 1 value: -87.09575 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -274.9606 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5414 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2165 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.5925 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3045 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4292 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3309 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -862.9795 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1303 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -883.977 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3368 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.7533 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3439 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1169 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.0626 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.749 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.7695 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3306 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -954.9523 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.6886 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.191 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.2778 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1407 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0202 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5405 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8277 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3368 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8294 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0375 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.1766 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.361 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.4682 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.5889 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.6735 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.7782 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.7891 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.7926 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.7935 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.797 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8009 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8027 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8083 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.813 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8234 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.824 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8251 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8286 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8364 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8494 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.865 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.8656 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.8663 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.8671 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.8688 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.8691 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.8694 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.8696 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.8703 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.8709 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.8724 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.8728 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.8732 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.8733 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.8737 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.8741 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.8742 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.8745 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.8745 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.8747 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.8748 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.8749 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.875 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.875 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.8751 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.05618876 iter: 1 value: -86.97138 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -274.8362 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.417 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.0921 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.4682 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.1802 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.3049 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.2065 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -862.8551 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.0059 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -883.8527 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.2124 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.6289 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.2195 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -943.9925 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -944.9383 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.6247 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.6451 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.2063 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -954.8279 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.5643 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.0666 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.1534 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.0163 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -960.8958 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.4161 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.7033 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.2124 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.705 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -962.9131 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.0522 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.2366 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.3438 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.4646 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.5491 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.6538 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.6648 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.6682 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.6691 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.6727 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.6765 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.6783 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.6839 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.6886 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.699 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.6996 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.7007 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.7042 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.712 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.725 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.7406 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.7413 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.742 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.7427 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.7445 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.7447 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.7451 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.7453 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.7459 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.7466 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.7481 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.7485 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.7489 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.749 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.7493 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.7497 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.7498 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.7501 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.7502 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.7504 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.7505 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.7506 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.7506 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.7506 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.7507 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.223954 iter: 1 value: -87.31989 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.1847 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.7655 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.4406 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.8167 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.5287 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.6534 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.555 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.2036 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.3544 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.2012 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.5609 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.9774 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.568 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.341 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.2868 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.9732 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.9937 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.5548 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.1764 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.9128 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.4152 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.5019 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.3648 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.2443 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.7646 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -962.0518 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.5609 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -963.0535 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.2616 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.4007 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.5851 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.6923 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.8131 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.8976 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -964.0023 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -964.0133 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -964.0167 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -964.0176 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -964.0212 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -964.025 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -964.0268 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -964.0324 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -964.0372 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -964.0475 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -964.0481 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -964.0492 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -964.0527 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -964.0605 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -964.0735 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -964.0891 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -964.0898 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -964.0905 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -964.0912 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -964.093 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -964.0932 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -964.0936 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -964.0938 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -964.0944 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -964.0951 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -964.0966 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -964.097 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -964.0974 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -964.0975 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -964.0978 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -964.0982 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -964.0983 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -964.0986 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -964.0987 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -964.0989 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -964.099 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -964.0991 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -964.0991 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -964.0991 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -964.0992 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.2239945 iter: 1 value: -87.14555 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0104 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5912 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2663 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6423 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3543 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.479 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3807 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0293 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1801 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0268 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3866 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8031 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3937 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1667 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1125 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7988 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8193 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3804 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0021 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7385 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2408 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3276 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1905 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.07 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5903 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8775 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3866 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8792 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0873 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2264 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4108 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.518 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6387 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7233 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.828 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8389 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8424 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8433 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8468 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8507 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8525 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8581 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8628 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8732 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8738 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8749 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8784 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8862 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8992 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9148 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9155 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9162 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9169 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9187 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9189 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9192 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9194 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9201 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9208 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9222 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9226 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9231 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9231 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9235 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9239 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.924 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9243 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9243 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9245 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9247 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9247 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9248 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9248 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9249 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.2858958 iter: 1 value: -87.14555 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0104 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5912 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2663 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6423 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3543 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.479 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3807 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0293 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1801 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0268 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3866 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8031 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3937 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1667 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1125 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7988 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8193 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3804 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0021 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7385 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2408 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3276 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1905 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.07 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5903 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8775 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3866 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8792 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0873 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2264 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4108 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.518 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6387 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7233 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.828 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8389 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8424 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8433 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8468 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8507 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8525 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8581 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8628 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8732 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8738 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8749 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8784 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8862 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8992 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9148 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9155 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9162 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9169 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9187 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9189 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9192 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9194 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9201 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9208 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9222 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9226 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9231 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9231 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9235 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9239 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.924 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9243 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9243 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9245 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9247 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9247 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9248 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9248 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9249 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.2858958 iter: 1 value: -87.14538 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0102 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.591 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2661 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6422 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3542 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4789 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3806 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0291 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1799 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0267 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3864 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.803 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3935 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1665 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1123 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7987 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8192 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3803 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0019 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7383 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2407 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3274 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1903 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0698 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5901 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8773 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3864 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.879 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0871 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2262 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4106 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5178 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6386 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7231 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8278 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8388 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8422 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8431 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8467 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8505 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8523 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8579 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8627 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.873 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8736 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8747 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8782 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.886 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.899 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9146 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9153 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.916 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9167 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9185 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9187 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9191 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9193 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9199 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9206 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9221 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9225 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9229 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.923 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9233 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9237 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9238 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9241 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9242 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9244 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9245 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9246 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9246 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9246 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9247 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.6234673 iter: 1 value: -87.14538 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0102 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.591 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2661 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6422 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3542 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4789 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3806 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0291 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1799 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0267 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3864 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.803 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3935 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1665 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1123 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7987 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8192 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3803 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0019 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7383 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2407 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3274 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1903 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0698 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5901 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8773 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3864 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.879 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0871 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2262 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4106 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5178 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6386 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7231 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8278 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8388 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8422 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8431 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8467 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8505 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8523 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8579 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8627 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.873 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8736 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8747 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8782 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.886 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.899 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9146 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9153 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.916 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9167 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9185 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9187 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9191 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9193 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9199 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9206 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9221 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9225 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9229 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.923 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9233 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9237 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9238 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9241 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9242 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9244 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9245 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9246 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9246 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9246 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9247 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.6234673 iter: 1 value: -87.14534 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0101 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.591 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2661 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6421 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3541 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4788 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3805 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0291 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1799 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0266 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3864 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8029 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3935 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1665 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1122 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7986 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8191 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3802 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0019 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7382 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2406 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3274 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1903 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0698 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5901 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8773 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3864 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8789 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0871 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2262 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4106 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5178 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6385 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7231 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8278 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8387 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8422 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.843 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8466 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8505 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8523 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8579 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8626 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.873 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8736 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8747 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8782 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.886 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.899 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9146 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9152 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9159 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9167 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9184 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9187 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.919 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9192 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9199 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9205 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.922 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9224 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9228 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9229 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9233 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9237 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9238 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9241 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9241 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9243 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9244 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9245 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9246 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9246 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9246 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.7166303 iter: 1 value: -87.14534 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0101 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.591 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2661 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6421 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3541 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4788 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3805 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0291 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1799 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0266 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3864 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8029 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3935 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1665 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1122 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7986 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8191 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3802 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0019 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7382 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2406 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3274 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1903 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0698 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5901 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8773 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3864 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8789 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0871 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2262 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4106 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5178 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6385 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7231 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8278 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8387 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8422 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.843 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8466 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8505 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8523 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8579 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8626 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.873 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8736 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8747 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8782 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.886 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.899 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9146 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9152 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9159 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9167 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9184 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9187 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.919 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9192 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9199 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9205 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.922 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9224 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9228 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9229 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9233 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9237 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9238 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9241 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9241 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9243 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9244 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9245 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9246 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9246 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9246 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.7166303 iter: 1 value: -87.14534 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0101 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.591 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2661 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6421 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3541 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4788 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3805 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0291 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1799 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0266 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3864 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8029 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3935 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1665 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1122 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7986 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8191 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3802 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0019 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7382 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2406 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3274 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1903 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0698 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5901 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8773 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3864 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8789 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0871 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2262 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4106 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5178 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6385 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7231 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8278 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8387 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8422 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.843 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8466 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8505 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8523 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8579 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8626 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.873 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8736 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8747 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8782 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.886 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.899 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9146 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9152 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9159 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9167 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9184 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9187 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.919 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9192 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9199 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9205 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.922 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9224 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9228 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9229 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9233 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9237 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9238 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9241 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9241 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9243 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9244 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9245 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9246 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9246 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9246 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.7197066 iter: 1 value: -87.14534 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0101 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.591 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2661 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6421 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3541 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4788 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3805 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0291 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1799 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0266 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3864 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8029 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3935 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1665 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1122 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7986 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8191 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3802 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0019 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7382 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2406 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3274 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1903 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0698 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5901 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8773 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3864 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8789 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0871 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2262 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4106 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5178 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6385 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7231 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8278 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8387 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8422 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.843 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8466 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8505 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8523 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8579 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8626 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.873 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8736 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8747 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8782 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.886 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.899 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9146 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9152 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9159 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9167 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9184 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9187 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.919 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9192 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9199 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9205 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.922 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9224 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9228 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9229 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9233 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9237 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9238 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9241 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9241 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9243 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9244 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9245 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9246 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9246 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9246 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.7197066 iter: 1 value: -87.14534 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0101 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.591 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2661 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6421 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3541 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4788 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3805 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0291 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1799 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0266 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3864 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8029 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3935 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1665 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1122 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7986 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8191 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3802 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0019 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7382 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2406 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3274 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1903 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0698 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5901 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8773 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3864 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8789 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0871 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2262 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4106 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5178 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6385 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7231 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8278 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8387 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8422 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.843 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8466 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8505 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8523 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8579 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8626 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.873 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8736 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8747 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8782 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.886 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.899 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9146 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9152 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9159 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9167 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9184 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9187 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.919 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9192 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9199 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9205 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.922 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9224 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9228 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9229 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9233 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9237 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9238 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9241 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9241 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9243 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9244 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9245 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9246 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9246 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9246 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.7197112 iter: 1 value: -87.14534 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0101 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.591 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2661 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6421 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3541 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4788 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3805 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0291 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1799 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0266 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3864 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8029 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3935 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1665 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1122 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7986 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8191 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3802 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0019 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7382 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2406 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3274 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1903 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0698 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5901 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8773 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3864 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8789 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0871 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2262 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4106 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5178 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6385 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7231 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8278 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8387 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8422 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.843 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8466 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8505 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8523 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8579 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8626 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.873 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8736 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8747 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8782 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.886 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.899 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9146 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9152 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9159 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9167 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9184 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9187 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.919 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9192 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9199 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9205 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.922 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9224 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9228 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9229 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9233 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9237 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9238 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9241 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9241 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9243 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9244 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9245 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9246 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9246 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9246 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.7197112 iter: 1 value: -87.14534 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0101 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.591 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2661 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6421 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3541 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4788 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3805 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0291 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1799 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0266 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3864 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8029 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3935 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1665 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1122 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7986 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8191 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3802 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0019 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7382 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2406 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3274 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1903 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0698 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5901 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8773 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3864 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8789 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0871 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2262 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4106 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5178 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6385 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7231 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8278 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8387 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8422 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.843 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8466 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8505 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8523 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8579 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8626 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.873 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8736 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8747 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8782 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.886 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.899 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9146 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9152 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9159 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9167 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9184 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9187 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.919 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9192 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9199 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9205 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.922 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9224 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9228 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9229 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9233 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9237 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9238 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9241 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9241 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9243 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9244 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9245 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9246 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9246 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9246 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.7194861 iter: 1 value: -87.14534 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0101 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.591 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2661 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6421 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3541 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4788 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3805 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0291 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1799 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0266 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3864 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8029 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3935 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1665 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1122 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7986 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8191 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3802 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0019 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7382 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2406 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3274 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1903 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0698 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5901 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8773 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3864 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8789 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0871 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2262 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4106 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5178 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6385 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7231 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8278 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8387 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8422 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.843 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8466 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8505 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8523 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8579 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8626 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.873 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8736 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8747 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8782 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.886 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.899 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9146 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9152 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9159 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9167 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9184 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9187 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.919 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9192 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9199 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9205 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.922 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9224 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9228 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9229 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9233 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9237 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9238 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9241 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9241 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9243 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9244 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9245 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9246 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9246 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9246 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.7194861 iter: 1 value: -87.14534 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0101 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.591 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2661 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6421 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3541 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4788 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3805 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0291 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1799 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0266 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3864 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8029 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3935 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1665 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1122 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7986 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8191 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3802 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0019 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7382 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2406 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3274 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1903 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0698 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5901 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8773 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3864 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8789 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0871 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2262 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4106 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5178 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6385 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7231 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8278 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8387 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8422 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8431 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8466 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8505 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8523 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8579 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8626 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.873 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8736 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8747 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8782 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.886 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.899 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9146 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9152 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9159 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9167 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9184 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9187 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.919 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9192 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9199 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9205 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.922 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9224 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9228 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9229 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9233 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9237 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9238 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9241 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9241 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9243 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9244 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9245 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9246 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9246 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9246 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.713992 iter: 1 value: -87.14534 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0101 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.591 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2661 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6421 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3541 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4788 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3805 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0291 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1799 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0266 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3864 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8029 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3935 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1665 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1122 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7986 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8191 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3802 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0019 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7382 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2406 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3274 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1903 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0698 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5901 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8773 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3864 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8789 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0871 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2262 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4106 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5178 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6385 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7231 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8278 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8387 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8422 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8431 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8466 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8505 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8523 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8579 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8626 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.873 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8736 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8747 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8782 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.886 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.899 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9146 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9152 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9159 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9167 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9184 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9187 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.919 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9192 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9199 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9205 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.922 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9224 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9228 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9229 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9233 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9237 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9238 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9241 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9241 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9243 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9244 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9245 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9246 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9246 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9246 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.713992 iter: 1 value: -87.14536 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0102 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.591 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2661 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6422 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3542 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4789 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3805 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0291 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1799 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0267 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3864 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8029 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3935 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1665 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1123 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7987 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8191 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3803 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0019 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7383 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2406 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3274 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1903 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0698 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5901 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8773 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3864 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.879 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0871 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2262 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4106 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5178 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6386 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7231 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8278 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8388 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8422 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8431 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8467 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8505 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8523 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8579 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8626 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.873 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8736 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8747 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8782 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.886 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.899 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9146 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9153 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.916 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9167 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9185 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9187 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.919 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9192 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9199 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9206 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.922 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9224 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9229 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.923 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9233 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9237 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9238 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9241 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9242 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9244 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9245 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9246 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9246 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9246 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9247 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.6634258 iter: 1 value: -87.14536 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0102 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.591 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2661 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6422 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3542 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.4789 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3805 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0291 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.1799 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0267 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3864 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8029 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3935 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1665 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1123 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7987 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8191 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3803 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.0019 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7383 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2406 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3274 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1903 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.0698 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5901 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8773 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3864 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.879 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0871 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2262 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4106 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.5178 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6386 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7231 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.8278 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8388 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8422 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8431 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8467 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8505 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8523 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.8579 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8626 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.873 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8736 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8747 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8782 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.886 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.899 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9146 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9153 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.916 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9167 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9185 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9187 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.919 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9192 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9199 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9206 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.922 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9224 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.9229 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.923 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9233 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9237 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9238 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9241 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9242 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9244 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9245 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9246 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9246 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9246 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9247 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.6634258 iter: 1 value: -87.14551 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0103 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5912 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2663 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6423 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3543 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.479 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3807 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0293 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.18 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0268 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3866 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8031 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3936 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1666 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1124 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7988 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8193 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3804 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.002 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7384 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2408 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3275 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1905 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.07 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5903 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8775 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3866 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8791 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0873 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2263 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4108 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.518 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6387 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7233 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.828 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8389 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8424 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8432 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8468 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8506 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8525 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.858 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8628 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8732 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8737 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8748 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8783 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8861 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8991 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9148 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9154 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9161 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9168 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9186 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9188 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9192 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9194 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9201 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9207 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9222 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9226 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.923 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9231 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9235 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9238 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9239 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9243 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9243 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9245 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9246 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9247 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9247 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9248 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9248 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.3748506 iter: 1 value: -87.14551 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.0103 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.5912 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.2663 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.6423 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.3543 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.479 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.3807 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.0293 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.18 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.0268 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.3866 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.8031 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.3936 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.1666 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.1124 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.7988 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.8193 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.3804 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.002 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.7384 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.2408 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.3275 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.1905 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.07 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.5903 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.8775 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.3866 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.8791 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.0873 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.2263 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.4108 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.518 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.6387 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.7233 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.828 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.8389 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.8424 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.8432 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.8468 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.8506 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.8525 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.858 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.8628 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.8732 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.8737 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.8748 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.8783 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.8861 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.8991 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.9148 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.9154 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.9161 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.9168 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.9186 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.9188 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.9192 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.9194 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.9201 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.9207 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.9222 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.9226 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.923 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.9231 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.9235 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.9238 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.9239 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.9243 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.9243 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.9245 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.9246 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.9247 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.9247 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.9248 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.9248 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.3748506 iter: 1 value: -86.99598 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -274.8608 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.4416 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.1167 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.4928 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.2048 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.3295 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.2311 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -862.8797 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.0305 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -883.8773 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.237 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.6535 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.2441 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.0171 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -944.9629 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.6493 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.6697 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.2309 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -954.8525 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.5889 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.0912 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.178 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.0409 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -960.9204 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.4407 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -961.7279 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.237 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -962.7296 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -962.9377 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.0768 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.2612 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.3684 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.4892 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.5737 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.6784 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.6894 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.6928 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.6937 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.6973 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -963.7011 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -963.7029 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -963.7085 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -963.7132 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -963.7236 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -963.7242 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -963.7253 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -963.7288 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -963.7366 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -963.7496 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -963.7652 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -963.7659 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -963.7666 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -963.7673 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -963.7691 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -963.7693 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -963.7697 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -963.7699 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -963.7705 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -963.7712 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -963.7727 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -963.7731 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -963.7735 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -963.7736 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -963.7739 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -963.7743 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -963.7744 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -963.7747 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -963.7748 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -963.775 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -963.7751 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -963.7752 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -963.7752 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -963.7752 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -963.7753 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.07548897 iter: 1 value: -87.29547 mgc: 22.0785 ustep: 0.0692153 iter: 2 value: -275.1603 mgc: 3386.082 ustep: 0.002381288 iter: 3 value: -389.7411 mgc: 34.48007 ustep: 0.04889356 iter: 4 value: -450.4162 mgc: 817.5943 ustep: 0.03075696 iter: 5 value: -577.7923 mgc: 44.31887 ustep: 0.09194845 iter: 6 value: -626.5043 mgc: 1128.718 ustep: 0.04415613 iter: 7 value: -761.629 mgc: 20.72674 ustep: 0.2102126 iter: 8 value: -796.5306 mgc: 1908.269 ustep: 0.07379655 iter: 9 value: -863.1792 mgc: 5.32394 ustep: 0.271728 iter: 10 value: -869.33 mgc: 607.5193 ustep: 0.01143812 iter: 11 value: -884.1767 mgc: 3.409537 ustep: 0.1070385 iter: 12 value: -915.5365 mgc: 49.77535 ustep: 0.3272346 iter: 13 value: -918.953 mgc: 130.8822 ustep: 0.05164717 iter: 14 value: -929.5436 mgc: 12.03844 ustep: 0.2273374 iter: 15 value: -944.3166 mgc: 83.06466 ustep: 0.4768514 iter: 16 value: -945.2624 mgc: 230.5802 ustep: 0.03597378 iter: 17 value: -947.9488 mgc: 3.26066 ustep: 0.1897486 iter: 18 value: -952.9692 mgc: 85.34082 ustep: 0.4356578 iter: 19 value: -953.5304 mgc: 155.2307 ustep: 0.06518725 iter: 20 value: -955.152 mgc: 7.277425 ustep: 0.2553924 iter: 21 value: -957.8884 mgc: 130.6382 ustep: 0.5054131 iter: 22 value: -958.3907 mgc: 85.01659 ustep: 0.1436613 iter: 23 value: -959.4775 mgc: 33.27792 ustep: 0.3790889 iter: 24 value: -960.3404 mgc: 210.8119 ustep: 0.3800752 iter: 25 value: -961.2199 mgc: 28.3376 ustep: 0.6165407 iter: 26 value: -961.7402 mgc: 520.0166 ustep: 0.09161564 iter: 27 value: -962.0274 mgc: 3.787518 ustep: 0.3027505 iter: 28 value: -962.5365 mgc: 134.9447 ustep: 0.5502726 iter: 29 value: -963.0291 mgc: 35.06708 ustep: 0.7418295 iter: 30 value: -963.2372 mgc: 280.4058 ustep: 0.3896537 iter: 31 value: -963.3763 mgc: 7.388928 ustep: 0.6242601 iter: 32 value: -963.5607 mgc: 279.7647 ustep: 0.5418217 iter: 33 value: -963.6679 mgc: 2.780436 ustep: 0.7361118 iter: 34 value: -963.7887 mgc: 209.355 ustep: 0.6230873 iter: 35 value: -963.8732 mgc: 0.9145512 ustep: 0.7893798 iter: 36 value: -963.9779 mgc: 87.37493 ustep: 0.8884817 iter: 37 value: -963.9888 mgc: 1.647271 ustep: 0.5103966 iter: 38 value: -963.9923 mgc: 7.037317 ustep: 0.2689353 iter: 39 value: -963.9932 mgc: 0.408614 ustep: 0.0873121 iter: 40 value: -963.9967 mgc: 0.03030655 ustep: 0.2955567 iter: 41 value: -964.0006 mgc: 0.2481733 ustep: 0.3244654 iter: 42 value: -964.0024 mgc: 0.1737425 ustep: 0.1900204 iter: 43 value: -964.008 mgc: 0.03302977 ustep: 0.4359697 iter: 44 value: -964.0127 mgc: 0.1957531 ustep: 0.4171324 iter: 45 value: -964.0231 mgc: 0.1125358 ustep: 0.6458933 iter: 46 value: -964.0237 mgc: 0.3594298 ustep: 0.09670396 iter: 47 value: -964.0248 mgc: 0.01793478 ustep: 0.1699478 iter: 48 value: -964.0283 mgc: 0.0177084 ustep: 0.412306 iter: 49 value: -964.0361 mgc: 0.0362124 ustep: 0.6421464 iter: 50 value: -964.0491 mgc: 0.1264065 ustep: 0.8013602 iter: 51 value: -964.0647 mgc: 0.1982548 ustep: 0.8951977 iter: 52 value: -964.0654 mgc: 0.1262921 ustep: 0.3058197 iter: 53 value: -964.0661 mgc: 0.009801096 ustep: 0.3314269 iter: 54 value: -964.0668 mgc: 0.009606339 ustep: 0.3486122 iter: 55 value: -964.0686 mgc: 0.009400728 ustep: 0.5904748 iter: 56 value: -964.0688 mgc: 0.008878211 ustep: 0.1670645 iter: 57 value: -964.0691 mgc: 0.008806126 ustep: 0.2310779 iter: 58 value: -964.0693 mgc: 0.008699452 ustep: 0.1510958 iter: 59 value: -964.07 mgc: 0.008636736 ustep: 0.3887715 iter: 60 value: -964.0707 mgc: 0.008418351 ustep: 0.3864087 iter: 61 value: -964.0721 mgc: 0.008207584 ustep: 0.6216556 iter: 62 value: -964.0725 mgc: 0.007692208 ustep: 0.3217532 iter: 63 value: -964.073 mgc: 0.007546228 ustep: 0.3421483 iter: 64 value: -964.0731 mgc: 0.007389494 ustep: 0.104067 iter: 65 value: -964.0734 mgc: 0.007354654 ustep: 0.3226619 iter: 66 value: -964.0738 mgc: 0.007214478 ustep: 0.3427569 iter: 67 value: -964.0739 mgc: 0.00706419 ustep: 0.1042073 iter: 68 value: -964.0742 mgc: 0.007030823 ustep: 0.3228793 iter: 69 value: -964.0743 mgc: 0.006896635 ustep: 0.05112061 iter: 70 value: -964.0744 mgc: 0.006881507 ustep: 0.2261761 iter: 71 value: -964.0746 mgc: 0.00680039 ustep: 0.1490092 iter: 72 value: -964.0746 mgc: 0.006752136 ustep: 0.1148032 iter: 73 value: -964.0747 mgc: 0.006716581 ustep: 0.05039893 iter: 74 value: -964.0747 mgc: 0.006702062 ustep: 0.06159395 iter: 75 value: -964.0748 mgc: 0.006684154 ustep: 0.06884074 Not improving much - will try early exit...PD hess?: TRUE mgc: 0.006664043 outer mgc: 0.07554465 outer mgc: 884.2256