kim-api 2.3.0+AppleClang.AppleClang.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
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LennardJones612ImplementationComputeDispatch.cpp
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1switch (GetComputeIndex(isComputeProcess_dEdr,
2 isComputeProcess_d2Edr2,
3 isComputeEnergy,
4 isComputeForces,
5 isComputeParticleEnergy,
6 isComputeVirial,
7 isComputeParticleVirial,
8 isShift))
9{
10 case 0:
11 ier = Compute<false, false, false, false, false, false, false, false>(
12 modelCompute,
13 modelComputeArguments,
14 particleSpeciesCodes,
15 particleContributing,
16 coordinates,
17 energy,
18 forces,
19 particleEnergy,
20 *virial,
21 particleVirial);
22 break;
23 case 1:
24 ier = Compute<false, false, false, false, false, false, false, true>(
25 modelCompute,
26 modelComputeArguments,
27 particleSpeciesCodes,
28 particleContributing,
29 coordinates,
30 energy,
31 forces,
32 particleEnergy,
33 *virial,
34 particleVirial);
35 break;
36 case 2:
37 ier = Compute<false, false, false, false, false, false, true, false>(
38 modelCompute,
39 modelComputeArguments,
40 particleSpeciesCodes,
41 particleContributing,
42 coordinates,
43 energy,
44 forces,
45 particleEnergy,
46 *virial,
47 particleVirial);
48 break;
49 case 3:
50 ier = Compute<false, false, false, false, false, false, true, true>(
51 modelCompute,
52 modelComputeArguments,
53 particleSpeciesCodes,
54 particleContributing,
55 coordinates,
56 energy,
57 forces,
58 particleEnergy,
59 *virial,
60 particleVirial);
61 break;
62 case 4:
63 ier = Compute<false, false, false, false, false, true, false, false>(
64 modelCompute,
65 modelComputeArguments,
66 particleSpeciesCodes,
67 particleContributing,
68 coordinates,
69 energy,
70 forces,
71 particleEnergy,
72 *virial,
73 particleVirial);
74 break;
75 case 5:
76 ier = Compute<false, false, false, false, false, true, false, true>(
77 modelCompute,
78 modelComputeArguments,
79 particleSpeciesCodes,
80 particleContributing,
81 coordinates,
82 energy,
83 forces,
84 particleEnergy,
85 *virial,
86 particleVirial);
87 break;
88 case 6:
89 ier = Compute<false, false, false, false, false, true, true, false>(
90 modelCompute,
91 modelComputeArguments,
92 particleSpeciesCodes,
93 particleContributing,
94 coordinates,
95 energy,
96 forces,
97 particleEnergy,
98 *virial,
99 particleVirial);
100 break;
101 case 7:
102 ier = Compute<false, false, false, false, false, true, true, true>(
103 modelCompute,
104 modelComputeArguments,
105 particleSpeciesCodes,
106 particleContributing,
107 coordinates,
108 energy,
109 forces,
110 particleEnergy,
111 *virial,
112 particleVirial);
113 break;
114 case 8:
115 ier = Compute<false, false, false, false, true, false, false, false>(
116 modelCompute,
117 modelComputeArguments,
118 particleSpeciesCodes,
119 particleContributing,
120 coordinates,
121 energy,
122 forces,
123 particleEnergy,
124 *virial,
125 particleVirial);
126 break;
127 case 9:
128 ier = Compute<false, false, false, false, true, false, false, true>(
129 modelCompute,
130 modelComputeArguments,
131 particleSpeciesCodes,
132 particleContributing,
133 coordinates,
134 energy,
135 forces,
136 particleEnergy,
137 *virial,
138 particleVirial);
139 break;
140 case 10:
141 ier = Compute<false, false, false, false, true, false, true, false>(
142 modelCompute,
143 modelComputeArguments,
144 particleSpeciesCodes,
145 particleContributing,
146 coordinates,
147 energy,
148 forces,
149 particleEnergy,
150 *virial,
151 particleVirial);
152 break;
153 case 11:
154 ier = Compute<false, false, false, false, true, false, true, true>(
155 modelCompute,
156 modelComputeArguments,
157 particleSpeciesCodes,
158 particleContributing,
159 coordinates,
160 energy,
161 forces,
162 particleEnergy,
163 *virial,
164 particleVirial);
165 break;
166 case 12:
167 ier = Compute<false, false, false, false, true, true, false, false>(
168 modelCompute,
169 modelComputeArguments,
170 particleSpeciesCodes,
171 particleContributing,
172 coordinates,
173 energy,
174 forces,
175 particleEnergy,
176 *virial,
177 particleVirial);
178 break;
179 case 13:
180 ier = Compute<false, false, false, false, true, true, false, true>(
181 modelCompute,
182 modelComputeArguments,
183 particleSpeciesCodes,
184 particleContributing,
185 coordinates,
186 energy,
187 forces,
188 particleEnergy,
189 *virial,
190 particleVirial);
191 break;
192 case 14:
193 ier = Compute<false, false, false, false, true, true, true, false>(
194 modelCompute,
195 modelComputeArguments,
196 particleSpeciesCodes,
197 particleContributing,
198 coordinates,
199 energy,
200 forces,
201 particleEnergy,
202 *virial,
203 particleVirial);
204 break;
205 case 15:
206 ier = Compute<false, false, false, false, true, true, true, true>(
207 modelCompute,
208 modelComputeArguments,
209 particleSpeciesCodes,
210 particleContributing,
211 coordinates,
212 energy,
213 forces,
214 particleEnergy,
215 *virial,
216 particleVirial);
217 break;
218 case 16:
219 ier = Compute<false, false, false, true, false, false, false, false>(
220 modelCompute,
221 modelComputeArguments,
222 particleSpeciesCodes,
223 particleContributing,
224 coordinates,
225 energy,
226 forces,
227 particleEnergy,
228 *virial,
229 particleVirial);
230 break;
231 case 17:
232 ier = Compute<false, false, false, true, false, false, false, true>(
233 modelCompute,
234 modelComputeArguments,
235 particleSpeciesCodes,
236 particleContributing,
237 coordinates,
238 energy,
239 forces,
240 particleEnergy,
241 *virial,
242 particleVirial);
243 break;
244 case 18:
245 ier = Compute<false, false, false, true, false, false, true, false>(
246 modelCompute,
247 modelComputeArguments,
248 particleSpeciesCodes,
249 particleContributing,
250 coordinates,
251 energy,
252 forces,
253 particleEnergy,
254 *virial,
255 particleVirial);
256 break;
257 case 19:
258 ier = Compute<false, false, false, true, false, false, true, true>(
259 modelCompute,
260 modelComputeArguments,
261 particleSpeciesCodes,
262 particleContributing,
263 coordinates,
264 energy,
265 forces,
266 particleEnergy,
267 *virial,
268 particleVirial);
269 break;
270 case 20:
271 ier = Compute<false, false, false, true, false, true, false, false>(
272 modelCompute,
273 modelComputeArguments,
274 particleSpeciesCodes,
275 particleContributing,
276 coordinates,
277 energy,
278 forces,
279 particleEnergy,
280 *virial,
281 particleVirial);
282 break;
283 case 21:
284 ier = Compute<false, false, false, true, false, true, false, true>(
285 modelCompute,
286 modelComputeArguments,
287 particleSpeciesCodes,
288 particleContributing,
289 coordinates,
290 energy,
291 forces,
292 particleEnergy,
293 *virial,
294 particleVirial);
295 break;
296 case 22:
297 ier = Compute<false, false, false, true, false, true, true, false>(
298 modelCompute,
299 modelComputeArguments,
300 particleSpeciesCodes,
301 particleContributing,
302 coordinates,
303 energy,
304 forces,
305 particleEnergy,
306 *virial,
307 particleVirial);
308 break;
309 case 23:
310 ier = Compute<false, false, false, true, false, true, true, true>(
311 modelCompute,
312 modelComputeArguments,
313 particleSpeciesCodes,
314 particleContributing,
315 coordinates,
316 energy,
317 forces,
318 particleEnergy,
319 *virial,
320 particleVirial);
321 break;
322 case 24:
323 ier = Compute<false, false, false, true, true, false, false, false>(
324 modelCompute,
325 modelComputeArguments,
326 particleSpeciesCodes,
327 particleContributing,
328 coordinates,
329 energy,
330 forces,
331 particleEnergy,
332 *virial,
333 particleVirial);
334 break;
335 case 25:
336 ier = Compute<false, false, false, true, true, false, false, true>(
337 modelCompute,
338 modelComputeArguments,
339 particleSpeciesCodes,
340 particleContributing,
341 coordinates,
342 energy,
343 forces,
344 particleEnergy,
345 *virial,
346 particleVirial);
347 break;
348 case 26:
349 ier = Compute<false, false, false, true, true, false, true, false>(
350 modelCompute,
351 modelComputeArguments,
352 particleSpeciesCodes,
353 particleContributing,
354 coordinates,
355 energy,
356 forces,
357 particleEnergy,
358 *virial,
359 particleVirial);
360 break;
361 case 27:
362 ier = Compute<false, false, false, true, true, false, true, true>(
363 modelCompute,
364 modelComputeArguments,
365 particleSpeciesCodes,
366 particleContributing,
367 coordinates,
368 energy,
369 forces,
370 particleEnergy,
371 *virial,
372 particleVirial);
373 break;
374 case 28:
375 ier = Compute<false, false, false, true, true, true, false, false>(
376 modelCompute,
377 modelComputeArguments,
378 particleSpeciesCodes,
379 particleContributing,
380 coordinates,
381 energy,
382 forces,
383 particleEnergy,
384 *virial,
385 particleVirial);
386 break;
387 case 29:
388 ier = Compute<false, false, false, true, true, true, false, true>(
389 modelCompute,
390 modelComputeArguments,
391 particleSpeciesCodes,
392 particleContributing,
393 coordinates,
394 energy,
395 forces,
396 particleEnergy,
397 *virial,
398 particleVirial);
399 break;
400 case 30:
401 ier = Compute<false, false, false, true, true, true, true, false>(
402 modelCompute,
403 modelComputeArguments,
404 particleSpeciesCodes,
405 particleContributing,
406 coordinates,
407 energy,
408 forces,
409 particleEnergy,
410 *virial,
411 particleVirial);
412 break;
413 case 31:
414 ier = Compute<false, false, false, true, true, true, true, true>(
415 modelCompute,
416 modelComputeArguments,
417 particleSpeciesCodes,
418 particleContributing,
419 coordinates,
420 energy,
421 forces,
422 particleEnergy,
423 *virial,
424 particleVirial);
425 break;
426 case 32:
427 ier = Compute<false, false, true, false, false, false, false, false>(
428 modelCompute,
429 modelComputeArguments,
430 particleSpeciesCodes,
431 particleContributing,
432 coordinates,
433 energy,
434 forces,
435 particleEnergy,
436 *virial,
437 particleVirial);
438 break;
439 case 33:
440 ier = Compute<false, false, true, false, false, false, false, true>(
441 modelCompute,
442 modelComputeArguments,
443 particleSpeciesCodes,
444 particleContributing,
445 coordinates,
446 energy,
447 forces,
448 particleEnergy,
449 *virial,
450 particleVirial);
451 break;
452 case 34:
453 ier = Compute<false, false, true, false, false, false, true, false>(
454 modelCompute,
455 modelComputeArguments,
456 particleSpeciesCodes,
457 particleContributing,
458 coordinates,
459 energy,
460 forces,
461 particleEnergy,
462 *virial,
463 particleVirial);
464 break;
465 case 35:
466 ier = Compute<false, false, true, false, false, false, true, true>(
467 modelCompute,
468 modelComputeArguments,
469 particleSpeciesCodes,
470 particleContributing,
471 coordinates,
472 energy,
473 forces,
474 particleEnergy,
475 *virial,
476 particleVirial);
477 break;
478 case 36:
479 ier = Compute<false, false, true, false, false, true, false, false>(
480 modelCompute,
481 modelComputeArguments,
482 particleSpeciesCodes,
483 particleContributing,
484 coordinates,
485 energy,
486 forces,
487 particleEnergy,
488 *virial,
489 particleVirial);
490 break;
491 case 37:
492 ier = Compute<false, false, true, false, false, true, false, true>(
493 modelCompute,
494 modelComputeArguments,
495 particleSpeciesCodes,
496 particleContributing,
497 coordinates,
498 energy,
499 forces,
500 particleEnergy,
501 *virial,
502 particleVirial);
503 break;
504 case 38:
505 ier = Compute<false, false, true, false, false, true, true, false>(
506 modelCompute,
507 modelComputeArguments,
508 particleSpeciesCodes,
509 particleContributing,
510 coordinates,
511 energy,
512 forces,
513 particleEnergy,
514 *virial,
515 particleVirial);
516 break;
517 case 39:
518 ier = Compute<false, false, true, false, false, true, true, true>(
519 modelCompute,
520 modelComputeArguments,
521 particleSpeciesCodes,
522 particleContributing,
523 coordinates,
524 energy,
525 forces,
526 particleEnergy,
527 *virial,
528 particleVirial);
529 break;
530 case 40:
531 ier = Compute<false, false, true, false, true, false, false, false>(
532 modelCompute,
533 modelComputeArguments,
534 particleSpeciesCodes,
535 particleContributing,
536 coordinates,
537 energy,
538 forces,
539 particleEnergy,
540 *virial,
541 particleVirial);
542 break;
543 case 41:
544 ier = Compute<false, false, true, false, true, false, false, true>(
545 modelCompute,
546 modelComputeArguments,
547 particleSpeciesCodes,
548 particleContributing,
549 coordinates,
550 energy,
551 forces,
552 particleEnergy,
553 *virial,
554 particleVirial);
555 break;
556 case 42:
557 ier = Compute<false, false, true, false, true, false, true, false>(
558 modelCompute,
559 modelComputeArguments,
560 particleSpeciesCodes,
561 particleContributing,
562 coordinates,
563 energy,
564 forces,
565 particleEnergy,
566 *virial,
567 particleVirial);
568 break;
569 case 43:
570 ier = Compute<false, false, true, false, true, false, true, true>(
571 modelCompute,
572 modelComputeArguments,
573 particleSpeciesCodes,
574 particleContributing,
575 coordinates,
576 energy,
577 forces,
578 particleEnergy,
579 *virial,
580 particleVirial);
581 break;
582 case 44:
583 ier = Compute<false, false, true, false, true, true, false, false>(
584 modelCompute,
585 modelComputeArguments,
586 particleSpeciesCodes,
587 particleContributing,
588 coordinates,
589 energy,
590 forces,
591 particleEnergy,
592 *virial,
593 particleVirial);
594 break;
595 case 45:
596 ier = Compute<false, false, true, false, true, true, false, true>(
597 modelCompute,
598 modelComputeArguments,
599 particleSpeciesCodes,
600 particleContributing,
601 coordinates,
602 energy,
603 forces,
604 particleEnergy,
605 *virial,
606 particleVirial);
607 break;
608 case 46:
609 ier = Compute<false, false, true, false, true, true, true, false>(
610 modelCompute,
611 modelComputeArguments,
612 particleSpeciesCodes,
613 particleContributing,
614 coordinates,
615 energy,
616 forces,
617 particleEnergy,
618 *virial,
619 particleVirial);
620 break;
621 case 47:
622 ier = Compute<false, false, true, false, true, true, true, true>(
623 modelCompute,
624 modelComputeArguments,
625 particleSpeciesCodes,
626 particleContributing,
627 coordinates,
628 energy,
629 forces,
630 particleEnergy,
631 *virial,
632 particleVirial);
633 break;
634 case 48:
635 ier = Compute<false, false, true, true, false, false, false, false>(
636 modelCompute,
637 modelComputeArguments,
638 particleSpeciesCodes,
639 particleContributing,
640 coordinates,
641 energy,
642 forces,
643 particleEnergy,
644 *virial,
645 particleVirial);
646 break;
647 case 49:
648 ier = Compute<false, false, true, true, false, false, false, true>(
649 modelCompute,
650 modelComputeArguments,
651 particleSpeciesCodes,
652 particleContributing,
653 coordinates,
654 energy,
655 forces,
656 particleEnergy,
657 *virial,
658 particleVirial);
659 break;
660 case 50:
661 ier = Compute<false, false, true, true, false, false, true, false>(
662 modelCompute,
663 modelComputeArguments,
664 particleSpeciesCodes,
665 particleContributing,
666 coordinates,
667 energy,
668 forces,
669 particleEnergy,
670 *virial,
671 particleVirial);
672 break;
673 case 51:
674 ier = Compute<false, false, true, true, false, false, true, true>(
675 modelCompute,
676 modelComputeArguments,
677 particleSpeciesCodes,
678 particleContributing,
679 coordinates,
680 energy,
681 forces,
682 particleEnergy,
683 *virial,
684 particleVirial);
685 break;
686 case 52:
687 ier = Compute<false, false, true, true, false, true, false, false>(
688 modelCompute,
689 modelComputeArguments,
690 particleSpeciesCodes,
691 particleContributing,
692 coordinates,
693 energy,
694 forces,
695 particleEnergy,
696 *virial,
697 particleVirial);
698 break;
699 case 53:
700 ier = Compute<false, false, true, true, false, true, false, true>(
701 modelCompute,
702 modelComputeArguments,
703 particleSpeciesCodes,
704 particleContributing,
705 coordinates,
706 energy,
707 forces,
708 particleEnergy,
709 *virial,
710 particleVirial);
711 break;
712 case 54:
713 ier = Compute<false, false, true, true, false, true, true, false>(
714 modelCompute,
715 modelComputeArguments,
716 particleSpeciesCodes,
717 particleContributing,
718 coordinates,
719 energy,
720 forces,
721 particleEnergy,
722 *virial,
723 particleVirial);
724 break;
725 case 55:
726 ier = Compute<false, false, true, true, false, true, true, true>(
727 modelCompute,
728 modelComputeArguments,
729 particleSpeciesCodes,
730 particleContributing,
731 coordinates,
732 energy,
733 forces,
734 particleEnergy,
735 *virial,
736 particleVirial);
737 break;
738 case 56:
739 ier = Compute<false, false, true, true, true, false, false, false>(
740 modelCompute,
741 modelComputeArguments,
742 particleSpeciesCodes,
743 particleContributing,
744 coordinates,
745 energy,
746 forces,
747 particleEnergy,
748 *virial,
749 particleVirial);
750 break;
751 case 57:
752 ier = Compute<false, false, true, true, true, false, false, true>(
753 modelCompute,
754 modelComputeArguments,
755 particleSpeciesCodes,
756 particleContributing,
757 coordinates,
758 energy,
759 forces,
760 particleEnergy,
761 *virial,
762 particleVirial);
763 break;
764 case 58:
765 ier = Compute<false, false, true, true, true, false, true, false>(
766 modelCompute,
767 modelComputeArguments,
768 particleSpeciesCodes,
769 particleContributing,
770 coordinates,
771 energy,
772 forces,
773 particleEnergy,
774 *virial,
775 particleVirial);
776 break;
777 case 59:
778 ier = Compute<false, false, true, true, true, false, true, true>(
779 modelCompute,
780 modelComputeArguments,
781 particleSpeciesCodes,
782 particleContributing,
783 coordinates,
784 energy,
785 forces,
786 particleEnergy,
787 *virial,
788 particleVirial);
789 break;
790 case 60:
791 ier = Compute<false, false, true, true, true, true, false, false>(
792 modelCompute,
793 modelComputeArguments,
794 particleSpeciesCodes,
795 particleContributing,
796 coordinates,
797 energy,
798 forces,
799 particleEnergy,
800 *virial,
801 particleVirial);
802 break;
803 case 61:
804 ier = Compute<false, false, true, true, true, true, false, true>(
805 modelCompute,
806 modelComputeArguments,
807 particleSpeciesCodes,
808 particleContributing,
809 coordinates,
810 energy,
811 forces,
812 particleEnergy,
813 *virial,
814 particleVirial);
815 break;
816 case 62:
817 ier = Compute<false, false, true, true, true, true, true, false>(
818 modelCompute,
819 modelComputeArguments,
820 particleSpeciesCodes,
821 particleContributing,
822 coordinates,
823 energy,
824 forces,
825 particleEnergy,
826 *virial,
827 particleVirial);
828 break;
829 case 63:
830 ier = Compute<false, false, true, true, true, true, true, true>(
831 modelCompute,
832 modelComputeArguments,
833 particleSpeciesCodes,
834 particleContributing,
835 coordinates,
836 energy,
837 forces,
838 particleEnergy,
839 *virial,
840 particleVirial);
841 break;
842 case 64:
843 ier = Compute<false, true, false, false, false, false, false, false>(
844 modelCompute,
845 modelComputeArguments,
846 particleSpeciesCodes,
847 particleContributing,
848 coordinates,
849 energy,
850 forces,
851 particleEnergy,
852 *virial,
853 particleVirial);
854 break;
855 case 65:
856 ier = Compute<false, true, false, false, false, false, false, true>(
857 modelCompute,
858 modelComputeArguments,
859 particleSpeciesCodes,
860 particleContributing,
861 coordinates,
862 energy,
863 forces,
864 particleEnergy,
865 *virial,
866 particleVirial);
867 break;
868 case 66:
869 ier = Compute<false, true, false, false, false, false, true, false>(
870 modelCompute,
871 modelComputeArguments,
872 particleSpeciesCodes,
873 particleContributing,
874 coordinates,
875 energy,
876 forces,
877 particleEnergy,
878 *virial,
879 particleVirial);
880 break;
881 case 67:
882 ier = Compute<false, true, false, false, false, false, true, true>(
883 modelCompute,
884 modelComputeArguments,
885 particleSpeciesCodes,
886 particleContributing,
887 coordinates,
888 energy,
889 forces,
890 particleEnergy,
891 *virial,
892 particleVirial);
893 break;
894 case 68:
895 ier = Compute<false, true, false, false, false, true, false, false>(
896 modelCompute,
897 modelComputeArguments,
898 particleSpeciesCodes,
899 particleContributing,
900 coordinates,
901 energy,
902 forces,
903 particleEnergy,
904 *virial,
905 particleVirial);
906 break;
907 case 69:
908 ier = Compute<false, true, false, false, false, true, false, true>(
909 modelCompute,
910 modelComputeArguments,
911 particleSpeciesCodes,
912 particleContributing,
913 coordinates,
914 energy,
915 forces,
916 particleEnergy,
917 *virial,
918 particleVirial);
919 break;
920 case 70:
921 ier = Compute<false, true, false, false, false, true, true, false>(
922 modelCompute,
923 modelComputeArguments,
924 particleSpeciesCodes,
925 particleContributing,
926 coordinates,
927 energy,
928 forces,
929 particleEnergy,
930 *virial,
931 particleVirial);
932 break;
933 case 71:
934 ier = Compute<false, true, false, false, false, true, true, true>(
935 modelCompute,
936 modelComputeArguments,
937 particleSpeciesCodes,
938 particleContributing,
939 coordinates,
940 energy,
941 forces,
942 particleEnergy,
943 *virial,
944 particleVirial);
945 break;
946 case 72:
947 ier = Compute<false, true, false, false, true, false, false, false>(
948 modelCompute,
949 modelComputeArguments,
950 particleSpeciesCodes,
951 particleContributing,
952 coordinates,
953 energy,
954 forces,
955 particleEnergy,
956 *virial,
957 particleVirial);
958 break;
959 case 73:
960 ier = Compute<false, true, false, false, true, false, false, true>(
961 modelCompute,
962 modelComputeArguments,
963 particleSpeciesCodes,
964 particleContributing,
965 coordinates,
966 energy,
967 forces,
968 particleEnergy,
969 *virial,
970 particleVirial);
971 break;
972 case 74:
973 ier = Compute<false, true, false, false, true, false, true, false>(
974 modelCompute,
975 modelComputeArguments,
976 particleSpeciesCodes,
977 particleContributing,
978 coordinates,
979 energy,
980 forces,
981 particleEnergy,
982 *virial,
983 particleVirial);
984 break;
985 case 75:
986 ier = Compute<false, true, false, false, true, false, true, true>(
987 modelCompute,
988 modelComputeArguments,
989 particleSpeciesCodes,
990 particleContributing,
991 coordinates,
992 energy,
993 forces,
994 particleEnergy,
995 *virial,
996 particleVirial);
997 break;
998 case 76:
999 ier = Compute<false, true, false, false, true, true, false, false>(
1000 modelCompute,
1001 modelComputeArguments,
1002 particleSpeciesCodes,
1003 particleContributing,
1004 coordinates,
1005 energy,
1006 forces,
1007 particleEnergy,
1008 *virial,
1009 particleVirial);
1010 break;
1011 case 77:
1012 ier = Compute<false, true, false, false, true, true, false, true>(
1013 modelCompute,
1014 modelComputeArguments,
1015 particleSpeciesCodes,
1016 particleContributing,
1017 coordinates,
1018 energy,
1019 forces,
1020 particleEnergy,
1021 *virial,
1022 particleVirial);
1023 break;
1024 case 78:
1025 ier = Compute<false, true, false, false, true, true, true, false>(
1026 modelCompute,
1027 modelComputeArguments,
1028 particleSpeciesCodes,
1029 particleContributing,
1030 coordinates,
1031 energy,
1032 forces,
1033 particleEnergy,
1034 *virial,
1035 particleVirial);
1036 break;
1037 case 79:
1038 ier = Compute<false, true, false, false, true, true, true, true>(
1039 modelCompute,
1040 modelComputeArguments,
1041 particleSpeciesCodes,
1042 particleContributing,
1043 coordinates,
1044 energy,
1045 forces,
1046 particleEnergy,
1047 *virial,
1048 particleVirial);
1049 break;
1050 case 80:
1051 ier = Compute<false, true, false, true, false, false, false, false>(
1052 modelCompute,
1053 modelComputeArguments,
1054 particleSpeciesCodes,
1055 particleContributing,
1056 coordinates,
1057 energy,
1058 forces,
1059 particleEnergy,
1060 *virial,
1061 particleVirial);
1062 break;
1063 case 81:
1064 ier = Compute<false, true, false, true, false, false, false, true>(
1065 modelCompute,
1066 modelComputeArguments,
1067 particleSpeciesCodes,
1068 particleContributing,
1069 coordinates,
1070 energy,
1071 forces,
1072 particleEnergy,
1073 *virial,
1074 particleVirial);
1075 break;
1076 case 82:
1077 ier = Compute<false, true, false, true, false, false, true, false>(
1078 modelCompute,
1079 modelComputeArguments,
1080 particleSpeciesCodes,
1081 particleContributing,
1082 coordinates,
1083 energy,
1084 forces,
1085 particleEnergy,
1086 *virial,
1087 particleVirial);
1088 break;
1089 case 83:
1090 ier = Compute<false, true, false, true, false, false, true, true>(
1091 modelCompute,
1092 modelComputeArguments,
1093 particleSpeciesCodes,
1094 particleContributing,
1095 coordinates,
1096 energy,
1097 forces,
1098 particleEnergy,
1099 *virial,
1100 particleVirial);
1101 break;
1102 case 84:
1103 ier = Compute<false, true, false, true, false, true, false, false>(
1104 modelCompute,
1105 modelComputeArguments,
1106 particleSpeciesCodes,
1107 particleContributing,
1108 coordinates,
1109 energy,
1110 forces,
1111 particleEnergy,
1112 *virial,
1113 particleVirial);
1114 break;
1115 case 85:
1116 ier = Compute<false, true, false, true, false, true, false, true>(
1117 modelCompute,
1118 modelComputeArguments,
1119 particleSpeciesCodes,
1120 particleContributing,
1121 coordinates,
1122 energy,
1123 forces,
1124 particleEnergy,
1125 *virial,
1126 particleVirial);
1127 break;
1128 case 86:
1129 ier = Compute<false, true, false, true, false, true, true, false>(
1130 modelCompute,
1131 modelComputeArguments,
1132 particleSpeciesCodes,
1133 particleContributing,
1134 coordinates,
1135 energy,
1136 forces,
1137 particleEnergy,
1138 *virial,
1139 particleVirial);
1140 break;
1141 case 87:
1142 ier = Compute<false, true, false, true, false, true, true, true>(
1143 modelCompute,
1144 modelComputeArguments,
1145 particleSpeciesCodes,
1146 particleContributing,
1147 coordinates,
1148 energy,
1149 forces,
1150 particleEnergy,
1151 *virial,
1152 particleVirial);
1153 break;
1154 case 88:
1155 ier = Compute<false, true, false, true, true, false, false, false>(
1156 modelCompute,
1157 modelComputeArguments,
1158 particleSpeciesCodes,
1159 particleContributing,
1160 coordinates,
1161 energy,
1162 forces,
1163 particleEnergy,
1164 *virial,
1165 particleVirial);
1166 break;
1167 case 89:
1168 ier = Compute<false, true, false, true, true, false, false, true>(
1169 modelCompute,
1170 modelComputeArguments,
1171 particleSpeciesCodes,
1172 particleContributing,
1173 coordinates,
1174 energy,
1175 forces,
1176 particleEnergy,
1177 *virial,
1178 particleVirial);
1179 break;
1180 case 90:
1181 ier = Compute<false, true, false, true, true, false, true, false>(
1182 modelCompute,
1183 modelComputeArguments,
1184 particleSpeciesCodes,
1185 particleContributing,
1186 coordinates,
1187 energy,
1188 forces,
1189 particleEnergy,
1190 *virial,
1191 particleVirial);
1192 break;
1193 case 91:
1194 ier = Compute<false, true, false, true, true, false, true, true>(
1195 modelCompute,
1196 modelComputeArguments,
1197 particleSpeciesCodes,
1198 particleContributing,
1199 coordinates,
1200 energy,
1201 forces,
1202 particleEnergy,
1203 *virial,
1204 particleVirial);
1205 break;
1206 case 92:
1207 ier = Compute<false, true, false, true, true, true, false, false>(
1208 modelCompute,
1209 modelComputeArguments,
1210 particleSpeciesCodes,
1211 particleContributing,
1212 coordinates,
1213 energy,
1214 forces,
1215 particleEnergy,
1216 *virial,
1217 particleVirial);
1218 break;
1219 case 93:
1220 ier = Compute<false, true, false, true, true, true, false, true>(
1221 modelCompute,
1222 modelComputeArguments,
1223 particleSpeciesCodes,
1224 particleContributing,
1225 coordinates,
1226 energy,
1227 forces,
1228 particleEnergy,
1229 *virial,
1230 particleVirial);
1231 break;
1232 case 94:
1233 ier = Compute<false, true, false, true, true, true, true, false>(
1234 modelCompute,
1235 modelComputeArguments,
1236 particleSpeciesCodes,
1237 particleContributing,
1238 coordinates,
1239 energy,
1240 forces,
1241 particleEnergy,
1242 *virial,
1243 particleVirial);
1244 break;
1245 case 95:
1246 ier = Compute<false, true, false, true, true, true, true, true>(
1247 modelCompute,
1248 modelComputeArguments,
1249 particleSpeciesCodes,
1250 particleContributing,
1251 coordinates,
1252 energy,
1253 forces,
1254 particleEnergy,
1255 *virial,
1256 particleVirial);
1257 break;
1258 case 96:
1259 ier = Compute<false, true, true, false, false, false, false, false>(
1260 modelCompute,
1261 modelComputeArguments,
1262 particleSpeciesCodes,
1263 particleContributing,
1264 coordinates,
1265 energy,
1266 forces,
1267 particleEnergy,
1268 *virial,
1269 particleVirial);
1270 break;
1271 case 97:
1272 ier = Compute<false, true, true, false, false, false, false, true>(
1273 modelCompute,
1274 modelComputeArguments,
1275 particleSpeciesCodes,
1276 particleContributing,
1277 coordinates,
1278 energy,
1279 forces,
1280 particleEnergy,
1281 *virial,
1282 particleVirial);
1283 break;
1284 case 98:
1285 ier = Compute<false, true, true, false, false, false, true, false>(
1286 modelCompute,
1287 modelComputeArguments,
1288 particleSpeciesCodes,
1289 particleContributing,
1290 coordinates,
1291 energy,
1292 forces,
1293 particleEnergy,
1294 *virial,
1295 particleVirial);
1296 break;
1297 case 99:
1298 ier = Compute<false, true, true, false, false, false, true, true>(
1299 modelCompute,
1300 modelComputeArguments,
1301 particleSpeciesCodes,
1302 particleContributing,
1303 coordinates,
1304 energy,
1305 forces,
1306 particleEnergy,
1307 *virial,
1308 particleVirial);
1309 break;
1310 case 100:
1311 ier = Compute<false, true, true, false, false, true, false, false>(
1312 modelCompute,
1313 modelComputeArguments,
1314 particleSpeciesCodes,
1315 particleContributing,
1316 coordinates,
1317 energy,
1318 forces,
1319 particleEnergy,
1320 *virial,
1321 particleVirial);
1322 break;
1323 case 101:
1324 ier = Compute<false, true, true, false, false, true, false, true>(
1325 modelCompute,
1326 modelComputeArguments,
1327 particleSpeciesCodes,
1328 particleContributing,
1329 coordinates,
1330 energy,
1331 forces,
1332 particleEnergy,
1333 *virial,
1334 particleVirial);
1335 break;
1336 case 102:
1337 ier = Compute<false, true, true, false, false, true, true, false>(
1338 modelCompute,
1339 modelComputeArguments,
1340 particleSpeciesCodes,
1341 particleContributing,
1342 coordinates,
1343 energy,
1344 forces,
1345 particleEnergy,
1346 *virial,
1347 particleVirial);
1348 break;
1349 case 103:
1350 ier = Compute<false, true, true, false, false, true, true, true>(
1351 modelCompute,
1352 modelComputeArguments,
1353 particleSpeciesCodes,
1354 particleContributing,
1355 coordinates,
1356 energy,
1357 forces,
1358 particleEnergy,
1359 *virial,
1360 particleVirial);
1361 break;
1362 case 104:
1363 ier = Compute<false, true, true, false, true, false, false, false>(
1364 modelCompute,
1365 modelComputeArguments,
1366 particleSpeciesCodes,
1367 particleContributing,
1368 coordinates,
1369 energy,
1370 forces,
1371 particleEnergy,
1372 *virial,
1373 particleVirial);
1374 break;
1375 case 105:
1376 ier = Compute<false, true, true, false, true, false, false, true>(
1377 modelCompute,
1378 modelComputeArguments,
1379 particleSpeciesCodes,
1380 particleContributing,
1381 coordinates,
1382 energy,
1383 forces,
1384 particleEnergy,
1385 *virial,
1386 particleVirial);
1387 break;
1388 case 106:
1389 ier = Compute<false, true, true, false, true, false, true, false>(
1390 modelCompute,
1391 modelComputeArguments,
1392 particleSpeciesCodes,
1393 particleContributing,
1394 coordinates,
1395 energy,
1396 forces,
1397 particleEnergy,
1398 *virial,
1399 particleVirial);
1400 break;
1401 case 107:
1402 ier = Compute<false, true, true, false, true, false, true, true>(
1403 modelCompute,
1404 modelComputeArguments,
1405 particleSpeciesCodes,
1406 particleContributing,
1407 coordinates,
1408 energy,
1409 forces,
1410 particleEnergy,
1411 *virial,
1412 particleVirial);
1413 break;
1414 case 108:
1415 ier = Compute<false, true, true, false, true, true, false, false>(
1416 modelCompute,
1417 modelComputeArguments,
1418 particleSpeciesCodes,
1419 particleContributing,
1420 coordinates,
1421 energy,
1422 forces,
1423 particleEnergy,
1424 *virial,
1425 particleVirial);
1426 break;
1427 case 109:
1428 ier = Compute<false, true, true, false, true, true, false, true>(
1429 modelCompute,
1430 modelComputeArguments,
1431 particleSpeciesCodes,
1432 particleContributing,
1433 coordinates,
1434 energy,
1435 forces,
1436 particleEnergy,
1437 *virial,
1438 particleVirial);
1439 break;
1440 case 110:
1441 ier = Compute<false, true, true, false, true, true, true, false>(
1442 modelCompute,
1443 modelComputeArguments,
1444 particleSpeciesCodes,
1445 particleContributing,
1446 coordinates,
1447 energy,
1448 forces,
1449 particleEnergy,
1450 *virial,
1451 particleVirial);
1452 break;
1453 case 111:
1454 ier = Compute<false, true, true, false, true, true, true, true>(
1455 modelCompute,
1456 modelComputeArguments,
1457 particleSpeciesCodes,
1458 particleContributing,
1459 coordinates,
1460 energy,
1461 forces,
1462 particleEnergy,
1463 *virial,
1464 particleVirial);
1465 break;
1466 case 112:
1467 ier = Compute<false, true, true, true, false, false, false, false>(
1468 modelCompute,
1469 modelComputeArguments,
1470 particleSpeciesCodes,
1471 particleContributing,
1472 coordinates,
1473 energy,
1474 forces,
1475 particleEnergy,
1476 *virial,
1477 particleVirial);
1478 break;
1479 case 113:
1480 ier = Compute<false, true, true, true, false, false, false, true>(
1481 modelCompute,
1482 modelComputeArguments,
1483 particleSpeciesCodes,
1484 particleContributing,
1485 coordinates,
1486 energy,
1487 forces,
1488 particleEnergy,
1489 *virial,
1490 particleVirial);
1491 break;
1492 case 114:
1493 ier = Compute<false, true, true, true, false, false, true, false>(
1494 modelCompute,
1495 modelComputeArguments,
1496 particleSpeciesCodes,
1497 particleContributing,
1498 coordinates,
1499 energy,
1500 forces,
1501 particleEnergy,
1502 *virial,
1503 particleVirial);
1504 break;
1505 case 115:
1506 ier = Compute<false, true, true, true, false, false, true, true>(
1507 modelCompute,
1508 modelComputeArguments,
1509 particleSpeciesCodes,
1510 particleContributing,
1511 coordinates,
1512 energy,
1513 forces,
1514 particleEnergy,
1515 *virial,
1516 particleVirial);
1517 break;
1518 case 116:
1519 ier = Compute<false, true, true, true, false, true, false, false>(
1520 modelCompute,
1521 modelComputeArguments,
1522 particleSpeciesCodes,
1523 particleContributing,
1524 coordinates,
1525 energy,
1526 forces,
1527 particleEnergy,
1528 *virial,
1529 particleVirial);
1530 break;
1531 case 117:
1532 ier = Compute<false, true, true, true, false, true, false, true>(
1533 modelCompute,
1534 modelComputeArguments,
1535 particleSpeciesCodes,
1536 particleContributing,
1537 coordinates,
1538 energy,
1539 forces,
1540 particleEnergy,
1541 *virial,
1542 particleVirial);
1543 break;
1544 case 118:
1545 ier = Compute<false, true, true, true, false, true, true, false>(
1546 modelCompute,
1547 modelComputeArguments,
1548 particleSpeciesCodes,
1549 particleContributing,
1550 coordinates,
1551 energy,
1552 forces,
1553 particleEnergy,
1554 *virial,
1555 particleVirial);
1556 break;
1557 case 119:
1558 ier = Compute<false, true, true, true, false, true, true, true>(
1559 modelCompute,
1560 modelComputeArguments,
1561 particleSpeciesCodes,
1562 particleContributing,
1563 coordinates,
1564 energy,
1565 forces,
1566 particleEnergy,
1567 *virial,
1568 particleVirial);
1569 break;
1570 case 120:
1571 ier = Compute<false, true, true, true, true, false, false, false>(
1572 modelCompute,
1573 modelComputeArguments,
1574 particleSpeciesCodes,
1575 particleContributing,
1576 coordinates,
1577 energy,
1578 forces,
1579 particleEnergy,
1580 *virial,
1581 particleVirial);
1582 break;
1583 case 121:
1584 ier = Compute<false, true, true, true, true, false, false, true>(
1585 modelCompute,
1586 modelComputeArguments,
1587 particleSpeciesCodes,
1588 particleContributing,
1589 coordinates,
1590 energy,
1591 forces,
1592 particleEnergy,
1593 *virial,
1594 particleVirial);
1595 break;
1596 case 122:
1597 ier = Compute<false, true, true, true, true, false, true, false>(
1598 modelCompute,
1599 modelComputeArguments,
1600 particleSpeciesCodes,
1601 particleContributing,
1602 coordinates,
1603 energy,
1604 forces,
1605 particleEnergy,
1606 *virial,
1607 particleVirial);
1608 break;
1609 case 123:
1610 ier = Compute<false, true, true, true, true, false, true, true>(
1611 modelCompute,
1612 modelComputeArguments,
1613 particleSpeciesCodes,
1614 particleContributing,
1615 coordinates,
1616 energy,
1617 forces,
1618 particleEnergy,
1619 *virial,
1620 particleVirial);
1621 break;
1622 case 124:
1623 ier = Compute<false, true, true, true, true, true, false, false>(
1624 modelCompute,
1625 modelComputeArguments,
1626 particleSpeciesCodes,
1627 particleContributing,
1628 coordinates,
1629 energy,
1630 forces,
1631 particleEnergy,
1632 *virial,
1633 particleVirial);
1634 break;
1635 case 125:
1636 ier = Compute<false, true, true, true, true, true, false, true>(
1637 modelCompute,
1638 modelComputeArguments,
1639 particleSpeciesCodes,
1640 particleContributing,
1641 coordinates,
1642 energy,
1643 forces,
1644 particleEnergy,
1645 *virial,
1646 particleVirial);
1647 break;
1648 case 126:
1649 ier = Compute<false, true, true, true, true, true, true, false>(
1650 modelCompute,
1651 modelComputeArguments,
1652 particleSpeciesCodes,
1653 particleContributing,
1654 coordinates,
1655 energy,
1656 forces,
1657 particleEnergy,
1658 *virial,
1659 particleVirial);
1660 break;
1661 case 127:
1662 ier = Compute<false, true, true, true, true, true, true, true>(
1663 modelCompute,
1664 modelComputeArguments,
1665 particleSpeciesCodes,
1666 particleContributing,
1667 coordinates,
1668 energy,
1669 forces,
1670 particleEnergy,
1671 *virial,
1672 particleVirial);
1673 break;
1674 case 128:
1675 ier = Compute<true, false, false, false, false, false, false, false>(
1676 modelCompute,
1677 modelComputeArguments,
1678 particleSpeciesCodes,
1679 particleContributing,
1680 coordinates,
1681 energy,
1682 forces,
1683 particleEnergy,
1684 *virial,
1685 particleVirial);
1686 break;
1687 case 129:
1688 ier = Compute<true, false, false, false, false, false, false, true>(
1689 modelCompute,
1690 modelComputeArguments,
1691 particleSpeciesCodes,
1692 particleContributing,
1693 coordinates,
1694 energy,
1695 forces,
1696 particleEnergy,
1697 *virial,
1698 particleVirial);
1699 break;
1700 case 130:
1701 ier = Compute<true, false, false, false, false, false, true, false>(
1702 modelCompute,
1703 modelComputeArguments,
1704 particleSpeciesCodes,
1705 particleContributing,
1706 coordinates,
1707 energy,
1708 forces,
1709 particleEnergy,
1710 *virial,
1711 particleVirial);
1712 break;
1713 case 131:
1714 ier = Compute<true, false, false, false, false, false, true, true>(
1715 modelCompute,
1716 modelComputeArguments,
1717 particleSpeciesCodes,
1718 particleContributing,
1719 coordinates,
1720 energy,
1721 forces,
1722 particleEnergy,
1723 *virial,
1724 particleVirial);
1725 break;
1726 case 132:
1727 ier = Compute<true, false, false, false, false, true, false, false>(
1728 modelCompute,
1729 modelComputeArguments,
1730 particleSpeciesCodes,
1731 particleContributing,
1732 coordinates,
1733 energy,
1734 forces,
1735 particleEnergy,
1736 *virial,
1737 particleVirial);
1738 break;
1739 case 133:
1740 ier = Compute<true, false, false, false, false, true, false, true>(
1741 modelCompute,
1742 modelComputeArguments,
1743 particleSpeciesCodes,
1744 particleContributing,
1745 coordinates,
1746 energy,
1747 forces,
1748 particleEnergy,
1749 *virial,
1750 particleVirial);
1751 break;
1752 case 134:
1753 ier = Compute<true, false, false, false, false, true, true, false>(
1754 modelCompute,
1755 modelComputeArguments,
1756 particleSpeciesCodes,
1757 particleContributing,
1758 coordinates,
1759 energy,
1760 forces,
1761 particleEnergy,
1762 *virial,
1763 particleVirial);
1764 break;
1765 case 135:
1766 ier = Compute<true, false, false, false, false, true, true, true>(
1767 modelCompute,
1768 modelComputeArguments,
1769 particleSpeciesCodes,
1770 particleContributing,
1771 coordinates,
1772 energy,
1773 forces,
1774 particleEnergy,
1775 *virial,
1776 particleVirial);
1777 break;
1778 case 136:
1779 ier = Compute<true, false, false, false, true, false, false, false>(
1780 modelCompute,
1781 modelComputeArguments,
1782 particleSpeciesCodes,
1783 particleContributing,
1784 coordinates,
1785 energy,
1786 forces,
1787 particleEnergy,
1788 *virial,
1789 particleVirial);
1790 break;
1791 case 137:
1792 ier = Compute<true, false, false, false, true, false, false, true>(
1793 modelCompute,
1794 modelComputeArguments,
1795 particleSpeciesCodes,
1796 particleContributing,
1797 coordinates,
1798 energy,
1799 forces,
1800 particleEnergy,
1801 *virial,
1802 particleVirial);
1803 break;
1804 case 138:
1805 ier = Compute<true, false, false, false, true, false, true, false>(
1806 modelCompute,
1807 modelComputeArguments,
1808 particleSpeciesCodes,
1809 particleContributing,
1810 coordinates,
1811 energy,
1812 forces,
1813 particleEnergy,
1814 *virial,
1815 particleVirial);
1816 break;
1817 case 139:
1818 ier = Compute<true, false, false, false, true, false, true, true>(
1819 modelCompute,
1820 modelComputeArguments,
1821 particleSpeciesCodes,
1822 particleContributing,
1823 coordinates,
1824 energy,
1825 forces,
1826 particleEnergy,
1827 *virial,
1828 particleVirial);
1829 break;
1830 case 140:
1831 ier = Compute<true, false, false, false, true, true, false, false>(
1832 modelCompute,
1833 modelComputeArguments,
1834 particleSpeciesCodes,
1835 particleContributing,
1836 coordinates,
1837 energy,
1838 forces,
1839 particleEnergy,
1840 *virial,
1841 particleVirial);
1842 break;
1843 case 141:
1844 ier = Compute<true, false, false, false, true, true, false, true>(
1845 modelCompute,
1846 modelComputeArguments,
1847 particleSpeciesCodes,
1848 particleContributing,
1849 coordinates,
1850 energy,
1851 forces,
1852 particleEnergy,
1853 *virial,
1854 particleVirial);
1855 break;
1856 case 142:
1857 ier = Compute<true, false, false, false, true, true, true, false>(
1858 modelCompute,
1859 modelComputeArguments,
1860 particleSpeciesCodes,
1861 particleContributing,
1862 coordinates,
1863 energy,
1864 forces,
1865 particleEnergy,
1866 *virial,
1867 particleVirial);
1868 break;
1869 case 143:
1870 ier = Compute<true, false, false, false, true, true, true, true>(
1871 modelCompute,
1872 modelComputeArguments,
1873 particleSpeciesCodes,
1874 particleContributing,
1875 coordinates,
1876 energy,
1877 forces,
1878 particleEnergy,
1879 *virial,
1880 particleVirial);
1881 break;
1882 case 144:
1883 ier = Compute<true, false, false, true, false, false, false, false>(
1884 modelCompute,
1885 modelComputeArguments,
1886 particleSpeciesCodes,
1887 particleContributing,
1888 coordinates,
1889 energy,
1890 forces,
1891 particleEnergy,
1892 *virial,
1893 particleVirial);
1894 break;
1895 case 145:
1896 ier = Compute<true, false, false, true, false, false, false, true>(
1897 modelCompute,
1898 modelComputeArguments,
1899 particleSpeciesCodes,
1900 particleContributing,
1901 coordinates,
1902 energy,
1903 forces,
1904 particleEnergy,
1905 *virial,
1906 particleVirial);
1907 break;
1908 case 146:
1909 ier = Compute<true, false, false, true, false, false, true, false>(
1910 modelCompute,
1911 modelComputeArguments,
1912 particleSpeciesCodes,
1913 particleContributing,
1914 coordinates,
1915 energy,
1916 forces,
1917 particleEnergy,
1918 *virial,
1919 particleVirial);
1920 break;
1921 case 147:
1922 ier = Compute<true, false, false, true, false, false, true, true>(
1923 modelCompute,
1924 modelComputeArguments,
1925 particleSpeciesCodes,
1926 particleContributing,
1927 coordinates,
1928 energy,
1929 forces,
1930 particleEnergy,
1931 *virial,
1932 particleVirial);
1933 break;
1934 case 148:
1935 ier = Compute<true, false, false, true, false, true, false, false>(
1936 modelCompute,
1937 modelComputeArguments,
1938 particleSpeciesCodes,
1939 particleContributing,
1940 coordinates,
1941 energy,
1942 forces,
1943 particleEnergy,
1944 *virial,
1945 particleVirial);
1946 break;
1947 case 149:
1948 ier = Compute<true, false, false, true, false, true, false, true>(
1949 modelCompute,
1950 modelComputeArguments,
1951 particleSpeciesCodes,
1952 particleContributing,
1953 coordinates,
1954 energy,
1955 forces,
1956 particleEnergy,
1957 *virial,
1958 particleVirial);
1959 break;
1960 case 150:
1961 ier = Compute<true, false, false, true, false, true, true, false>(
1962 modelCompute,
1963 modelComputeArguments,
1964 particleSpeciesCodes,
1965 particleContributing,
1966 coordinates,
1967 energy,
1968 forces,
1969 particleEnergy,
1970 *virial,
1971 particleVirial);
1972 break;
1973 case 151:
1974 ier = Compute<true, false, false, true, false, true, true, true>(
1975 modelCompute,
1976 modelComputeArguments,
1977 particleSpeciesCodes,
1978 particleContributing,
1979 coordinates,
1980 energy,
1981 forces,
1982 particleEnergy,
1983 *virial,
1984 particleVirial);
1985 break;
1986 case 152:
1987 ier = Compute<true, false, false, true, true, false, false, false>(
1988 modelCompute,
1989 modelComputeArguments,
1990 particleSpeciesCodes,
1991 particleContributing,
1992 coordinates,
1993 energy,
1994 forces,
1995 particleEnergy,
1996 *virial,
1997 particleVirial);
1998 break;
1999 case 153:
2000 ier = Compute<true, false, false, true, true, false, false, true>(
2001 modelCompute,
2002 modelComputeArguments,
2003 particleSpeciesCodes,
2004 particleContributing,
2005 coordinates,
2006 energy,
2007 forces,
2008 particleEnergy,
2009 *virial,
2010 particleVirial);
2011 break;
2012 case 154:
2013 ier = Compute<true, false, false, true, true, false, true, false>(
2014 modelCompute,
2015 modelComputeArguments,
2016 particleSpeciesCodes,
2017 particleContributing,
2018 coordinates,
2019 energy,
2020 forces,
2021 particleEnergy,
2022 *virial,
2023 particleVirial);
2024 break;
2025 case 155:
2026 ier = Compute<true, false, false, true, true, false, true, true>(
2027 modelCompute,
2028 modelComputeArguments,
2029 particleSpeciesCodes,
2030 particleContributing,
2031 coordinates,
2032 energy,
2033 forces,
2034 particleEnergy,
2035 *virial,
2036 particleVirial);
2037 break;
2038 case 156:
2039 ier = Compute<true, false, false, true, true, true, false, false>(
2040 modelCompute,
2041 modelComputeArguments,
2042 particleSpeciesCodes,
2043 particleContributing,
2044 coordinates,
2045 energy,
2046 forces,
2047 particleEnergy,
2048 *virial,
2049 particleVirial);
2050 break;
2051 case 157:
2052 ier = Compute<true, false, false, true, true, true, false, true>(
2053 modelCompute,
2054 modelComputeArguments,
2055 particleSpeciesCodes,
2056 particleContributing,
2057 coordinates,
2058 energy,
2059 forces,
2060 particleEnergy,
2061 *virial,
2062 particleVirial);
2063 break;
2064 case 158:
2065 ier = Compute<true, false, false, true, true, true, true, false>(
2066 modelCompute,
2067 modelComputeArguments,
2068 particleSpeciesCodes,
2069 particleContributing,
2070 coordinates,
2071 energy,
2072 forces,
2073 particleEnergy,
2074 *virial,
2075 particleVirial);
2076 break;
2077 case 159:
2078 ier = Compute<true, false, false, true, true, true, true, true>(
2079 modelCompute,
2080 modelComputeArguments,
2081 particleSpeciesCodes,
2082 particleContributing,
2083 coordinates,
2084 energy,
2085 forces,
2086 particleEnergy,
2087 *virial,
2088 particleVirial);
2089 break;
2090 case 160:
2091 ier = Compute<true, false, true, false, false, false, false, false>(
2092 modelCompute,
2093 modelComputeArguments,
2094 particleSpeciesCodes,
2095 particleContributing,
2096 coordinates,
2097 energy,
2098 forces,
2099 particleEnergy,
2100 *virial,
2101 particleVirial);
2102 break;
2103 case 161:
2104 ier = Compute<true, false, true, false, false, false, false, true>(
2105 modelCompute,
2106 modelComputeArguments,
2107 particleSpeciesCodes,
2108 particleContributing,
2109 coordinates,
2110 energy,
2111 forces,
2112 particleEnergy,
2113 *virial,
2114 particleVirial);
2115 break;
2116 case 162:
2117 ier = Compute<true, false, true, false, false, false, true, false>(
2118 modelCompute,
2119 modelComputeArguments,
2120 particleSpeciesCodes,
2121 particleContributing,
2122 coordinates,
2123 energy,
2124 forces,
2125 particleEnergy,
2126 *virial,
2127 particleVirial);
2128 break;
2129 case 163:
2130 ier = Compute<true, false, true, false, false, false, true, true>(
2131 modelCompute,
2132 modelComputeArguments,
2133 particleSpeciesCodes,
2134 particleContributing,
2135 coordinates,
2136 energy,
2137 forces,
2138 particleEnergy,
2139 *virial,
2140 particleVirial);
2141 break;
2142 case 164:
2143 ier = Compute<true, false, true, false, false, true, false, false>(
2144 modelCompute,
2145 modelComputeArguments,
2146 particleSpeciesCodes,
2147 particleContributing,
2148 coordinates,
2149 energy,
2150 forces,
2151 particleEnergy,
2152 *virial,
2153 particleVirial);
2154 break;
2155 case 165:
2156 ier = Compute<true, false, true, false, false, true, false, true>(
2157 modelCompute,
2158 modelComputeArguments,
2159 particleSpeciesCodes,
2160 particleContributing,
2161 coordinates,
2162 energy,
2163 forces,
2164 particleEnergy,
2165 *virial,
2166 particleVirial);
2167 break;
2168 case 166:
2169 ier = Compute<true, false, true, false, false, true, true, false>(
2170 modelCompute,
2171 modelComputeArguments,
2172 particleSpeciesCodes,
2173 particleContributing,
2174 coordinates,
2175 energy,
2176 forces,
2177 particleEnergy,
2178 *virial,
2179 particleVirial);
2180 break;
2181 case 167:
2182 ier = Compute<true, false, true, false, false, true, true, true>(
2183 modelCompute,
2184 modelComputeArguments,
2185 particleSpeciesCodes,
2186 particleContributing,
2187 coordinates,
2188 energy,
2189 forces,
2190 particleEnergy,
2191 *virial,
2192 particleVirial);
2193 break;
2194 case 168:
2195 ier = Compute<true, false, true, false, true, false, false, false>(
2196 modelCompute,
2197 modelComputeArguments,
2198 particleSpeciesCodes,
2199 particleContributing,
2200 coordinates,
2201 energy,
2202 forces,
2203 particleEnergy,
2204 *virial,
2205 particleVirial);
2206 break;
2207 case 169:
2208 ier = Compute<true, false, true, false, true, false, false, true>(
2209 modelCompute,
2210 modelComputeArguments,
2211 particleSpeciesCodes,
2212 particleContributing,
2213 coordinates,
2214 energy,
2215 forces,
2216 particleEnergy,
2217 *virial,
2218 particleVirial);
2219 break;
2220 case 170:
2221 ier = Compute<true, false, true, false, true, false, true, false>(
2222 modelCompute,
2223 modelComputeArguments,
2224 particleSpeciesCodes,
2225 particleContributing,
2226 coordinates,
2227 energy,
2228 forces,
2229 particleEnergy,
2230 *virial,
2231 particleVirial);
2232 break;
2233 case 171:
2234 ier = Compute<true, false, true, false, true, false, true, true>(
2235 modelCompute,
2236 modelComputeArguments,
2237 particleSpeciesCodes,
2238 particleContributing,
2239 coordinates,
2240 energy,
2241 forces,
2242 particleEnergy,
2243 *virial,
2244 particleVirial);
2245 break;
2246 case 172:
2247 ier = Compute<true, false, true, false, true, true, false, false>(
2248 modelCompute,
2249 modelComputeArguments,
2250 particleSpeciesCodes,
2251 particleContributing,
2252 coordinates,
2253 energy,
2254 forces,
2255 particleEnergy,
2256 *virial,
2257 particleVirial);
2258 break;
2259 case 173:
2260 ier = Compute<true, false, true, false, true, true, false, true>(
2261 modelCompute,
2262 modelComputeArguments,
2263 particleSpeciesCodes,
2264 particleContributing,
2265 coordinates,
2266 energy,
2267 forces,
2268 particleEnergy,
2269 *virial,
2270 particleVirial);
2271 break;
2272 case 174:
2273 ier = Compute<true, false, true, false, true, true, true, false>(
2274 modelCompute,
2275 modelComputeArguments,
2276 particleSpeciesCodes,
2277 particleContributing,
2278 coordinates,
2279 energy,
2280 forces,
2281 particleEnergy,
2282 *virial,
2283 particleVirial);
2284 break;
2285 case 175:
2286 ier = Compute<true, false, true, false, true, true, true, true>(
2287 modelCompute,
2288 modelComputeArguments,
2289 particleSpeciesCodes,
2290 particleContributing,
2291 coordinates,
2292 energy,
2293 forces,
2294 particleEnergy,
2295 *virial,
2296 particleVirial);
2297 break;
2298 case 176:
2299 ier = Compute<true, false, true, true, false, false, false, false>(
2300 modelCompute,
2301 modelComputeArguments,
2302 particleSpeciesCodes,
2303 particleContributing,
2304 coordinates,
2305 energy,
2306 forces,
2307 particleEnergy,
2308 *virial,
2309 particleVirial);
2310 break;
2311 case 177:
2312 ier = Compute<true, false, true, true, false, false, false, true>(
2313 modelCompute,
2314 modelComputeArguments,
2315 particleSpeciesCodes,
2316 particleContributing,
2317 coordinates,
2318 energy,
2319 forces,
2320 particleEnergy,
2321 *virial,
2322 particleVirial);
2323 break;
2324 case 178:
2325 ier = Compute<true, false, true, true, false, false, true, false>(
2326 modelCompute,
2327 modelComputeArguments,
2328 particleSpeciesCodes,
2329 particleContributing,
2330 coordinates,
2331 energy,
2332 forces,
2333 particleEnergy,
2334 *virial,
2335 particleVirial);
2336 break;
2337 case 179:
2338 ier = Compute<true, false, true, true, false, false, true, true>(
2339 modelCompute,
2340 modelComputeArguments,
2341 particleSpeciesCodes,
2342 particleContributing,
2343 coordinates,
2344 energy,
2345 forces,
2346 particleEnergy,
2347 *virial,
2348 particleVirial);
2349 break;
2350 case 180:
2351 ier = Compute<true, false, true, true, false, true, false, false>(
2352 modelCompute,
2353 modelComputeArguments,
2354 particleSpeciesCodes,
2355 particleContributing,
2356 coordinates,
2357 energy,
2358 forces,
2359 particleEnergy,
2360 *virial,
2361 particleVirial);
2362 break;
2363 case 181:
2364 ier = Compute<true, false, true, true, false, true, false, true>(
2365 modelCompute,
2366 modelComputeArguments,
2367 particleSpeciesCodes,
2368 particleContributing,
2369 coordinates,
2370 energy,
2371 forces,
2372 particleEnergy,
2373 *virial,
2374 particleVirial);
2375 break;
2376 case 182:
2377 ier = Compute<true, false, true, true, false, true, true, false>(
2378 modelCompute,
2379 modelComputeArguments,
2380 particleSpeciesCodes,
2381 particleContributing,
2382 coordinates,
2383 energy,
2384 forces,
2385 particleEnergy,
2386 *virial,
2387 particleVirial);
2388 break;
2389 case 183:
2390 ier = Compute<true, false, true, true, false, true, true, true>(
2391 modelCompute,
2392 modelComputeArguments,
2393 particleSpeciesCodes,
2394 particleContributing,
2395 coordinates,
2396 energy,
2397 forces,
2398 particleEnergy,
2399 *virial,
2400 particleVirial);
2401 break;
2402 case 184:
2403 ier = Compute<true, false, true, true, true, false, false, false>(
2404 modelCompute,
2405 modelComputeArguments,
2406 particleSpeciesCodes,
2407 particleContributing,
2408 coordinates,
2409 energy,
2410 forces,
2411 particleEnergy,
2412 *virial,
2413 particleVirial);
2414 break;
2415 case 185:
2416 ier = Compute<true, false, true, true, true, false, false, true>(
2417 modelCompute,
2418 modelComputeArguments,
2419 particleSpeciesCodes,
2420 particleContributing,
2421 coordinates,
2422 energy,
2423 forces,
2424 particleEnergy,
2425 *virial,
2426 particleVirial);
2427 break;
2428 case 186:
2429 ier = Compute<true, false, true, true, true, false, true, false>(
2430 modelCompute,
2431 modelComputeArguments,
2432 particleSpeciesCodes,
2433 particleContributing,
2434 coordinates,
2435 energy,
2436 forces,
2437 particleEnergy,
2438 *virial,
2439 particleVirial);
2440 break;
2441 case 187:
2442 ier = Compute<true, false, true, true, true, false, true, true>(
2443 modelCompute,
2444 modelComputeArguments,
2445 particleSpeciesCodes,
2446 particleContributing,
2447 coordinates,
2448 energy,
2449 forces,
2450 particleEnergy,
2451 *virial,
2452 particleVirial);
2453 break;
2454 case 188:
2455 ier = Compute<true, false, true, true, true, true, false, false>(
2456 modelCompute,
2457 modelComputeArguments,
2458 particleSpeciesCodes,
2459 particleContributing,
2460 coordinates,
2461 energy,
2462 forces,
2463 particleEnergy,
2464 *virial,
2465 particleVirial);
2466 break;
2467 case 189:
2468 ier = Compute<true, false, true, true, true, true, false, true>(
2469 modelCompute,
2470 modelComputeArguments,
2471 particleSpeciesCodes,
2472 particleContributing,
2473 coordinates,
2474 energy,
2475 forces,
2476 particleEnergy,
2477 *virial,
2478 particleVirial);
2479 break;
2480 case 190:
2481 ier = Compute<true, false, true, true, true, true, true, false>(
2482 modelCompute,
2483 modelComputeArguments,
2484 particleSpeciesCodes,
2485 particleContributing,
2486 coordinates,
2487 energy,
2488 forces,
2489 particleEnergy,
2490 *virial,
2491 particleVirial);
2492 break;
2493 case 191:
2494 ier = Compute<true, false, true, true, true, true, true, true>(
2495 modelCompute,
2496 modelComputeArguments,
2497 particleSpeciesCodes,
2498 particleContributing,
2499 coordinates,
2500 energy,
2501 forces,
2502 particleEnergy,
2503 *virial,
2504 particleVirial);
2505 break;
2506 case 192:
2507 ier = Compute<true, true, false, false, false, false, false, false>(
2508 modelCompute,
2509 modelComputeArguments,
2510 particleSpeciesCodes,
2511 particleContributing,
2512 coordinates,
2513 energy,
2514 forces,
2515 particleEnergy,
2516 *virial,
2517 particleVirial);
2518 break;
2519 case 193:
2520 ier = Compute<true, true, false, false, false, false, false, true>(
2521 modelCompute,
2522 modelComputeArguments,
2523 particleSpeciesCodes,
2524 particleContributing,
2525 coordinates,
2526 energy,
2527 forces,
2528 particleEnergy,
2529 *virial,
2530 particleVirial);
2531 break;
2532 case 194:
2533 ier = Compute<true, true, false, false, false, false, true, false>(
2534 modelCompute,
2535 modelComputeArguments,
2536 particleSpeciesCodes,
2537 particleContributing,
2538 coordinates,
2539 energy,
2540 forces,
2541 particleEnergy,
2542 *virial,
2543 particleVirial);
2544 break;
2545 case 195:
2546 ier = Compute<true, true, false, false, false, false, true, true>(
2547 modelCompute,
2548 modelComputeArguments,
2549 particleSpeciesCodes,
2550 particleContributing,
2551 coordinates,
2552 energy,
2553 forces,
2554 particleEnergy,
2555 *virial,
2556 particleVirial);
2557 break;
2558 case 196:
2559 ier = Compute<true, true, false, false, false, true, false, false>(
2560 modelCompute,
2561 modelComputeArguments,
2562 particleSpeciesCodes,
2563 particleContributing,
2564 coordinates,
2565 energy,
2566 forces,
2567 particleEnergy,
2568 *virial,
2569 particleVirial);
2570 break;
2571 case 197:
2572 ier = Compute<true, true, false, false, false, true, false, true>(
2573 modelCompute,
2574 modelComputeArguments,
2575 particleSpeciesCodes,
2576 particleContributing,
2577 coordinates,
2578 energy,
2579 forces,
2580 particleEnergy,
2581 *virial,
2582 particleVirial);
2583 break;
2584 case 198:
2585 ier = Compute<true, true, false, false, false, true, true, false>(
2586 modelCompute,
2587 modelComputeArguments,
2588 particleSpeciesCodes,
2589 particleContributing,
2590 coordinates,
2591 energy,
2592 forces,
2593 particleEnergy,
2594 *virial,
2595 particleVirial);
2596 break;
2597 case 199:
2598 ier = Compute<true, true, false, false, false, true, true, true>(
2599 modelCompute,
2600 modelComputeArguments,
2601 particleSpeciesCodes,
2602 particleContributing,
2603 coordinates,
2604 energy,
2605 forces,
2606 particleEnergy,
2607 *virial,
2608 particleVirial);
2609 break;
2610 case 200:
2611 ier = Compute<true, true, false, false, true, false, false, false>(
2612 modelCompute,
2613 modelComputeArguments,
2614 particleSpeciesCodes,
2615 particleContributing,
2616 coordinates,
2617 energy,
2618 forces,
2619 particleEnergy,
2620 *virial,
2621 particleVirial);
2622 break;
2623 case 201:
2624 ier = Compute<true, true, false, false, true, false, false, true>(
2625 modelCompute,
2626 modelComputeArguments,
2627 particleSpeciesCodes,
2628 particleContributing,
2629 coordinates,
2630 energy,
2631 forces,
2632 particleEnergy,
2633 *virial,
2634 particleVirial);
2635 break;
2636 case 202:
2637 ier = Compute<true, true, false, false, true, false, true, false>(
2638 modelCompute,
2639 modelComputeArguments,
2640 particleSpeciesCodes,
2641 particleContributing,
2642 coordinates,
2643 energy,
2644 forces,
2645 particleEnergy,
2646 *virial,
2647 particleVirial);
2648 break;
2649 case 203:
2650 ier = Compute<true, true, false, false, true, false, true, true>(
2651 modelCompute,
2652 modelComputeArguments,
2653 particleSpeciesCodes,
2654 particleContributing,
2655 coordinates,
2656 energy,
2657 forces,
2658 particleEnergy,
2659 *virial,
2660 particleVirial);
2661 break;
2662 case 204:
2663 ier = Compute<true, true, false, false, true, true, false, false>(
2664 modelCompute,
2665 modelComputeArguments,
2666 particleSpeciesCodes,
2667 particleContributing,
2668 coordinates,
2669 energy,
2670 forces,
2671 particleEnergy,
2672 *virial,
2673 particleVirial);
2674 break;
2675 case 205:
2676 ier = Compute<true, true, false, false, true, true, false, true>(
2677 modelCompute,
2678 modelComputeArguments,
2679 particleSpeciesCodes,
2680 particleContributing,
2681 coordinates,
2682 energy,
2683 forces,
2684 particleEnergy,
2685 *virial,
2686 particleVirial);
2687 break;
2688 case 206:
2689 ier = Compute<true, true, false, false, true, true, true, false>(
2690 modelCompute,
2691 modelComputeArguments,
2692 particleSpeciesCodes,
2693 particleContributing,
2694 coordinates,
2695 energy,
2696 forces,
2697 particleEnergy,
2698 *virial,
2699 particleVirial);
2700 break;
2701 case 207:
2702 ier = Compute<true, true, false, false, true, true, true, true>(
2703 modelCompute,
2704 modelComputeArguments,
2705 particleSpeciesCodes,
2706 particleContributing,
2707 coordinates,
2708 energy,
2709 forces,
2710 particleEnergy,
2711 *virial,
2712 particleVirial);
2713 break;
2714 case 208:
2715 ier = Compute<true, true, false, true, false, false, false, false>(
2716 modelCompute,
2717 modelComputeArguments,
2718 particleSpeciesCodes,
2719 particleContributing,
2720 coordinates,
2721 energy,
2722 forces,
2723 particleEnergy,
2724 *virial,
2725 particleVirial);
2726 break;
2727 case 209:
2728 ier = Compute<true, true, false, true, false, false, false, true>(
2729 modelCompute,
2730 modelComputeArguments,
2731 particleSpeciesCodes,
2732 particleContributing,
2733 coordinates,
2734 energy,
2735 forces,
2736 particleEnergy,
2737 *virial,
2738 particleVirial);
2739 break;
2740 case 210:
2741 ier = Compute<true, true, false, true, false, false, true, false>(
2742 modelCompute,
2743 modelComputeArguments,
2744 particleSpeciesCodes,
2745 particleContributing,
2746 coordinates,
2747 energy,
2748 forces,
2749 particleEnergy,
2750 *virial,
2751 particleVirial);
2752 break;
2753 case 211:
2754 ier = Compute<true, true, false, true, false, false, true, true>(
2755 modelCompute,
2756 modelComputeArguments,
2757 particleSpeciesCodes,
2758 particleContributing,
2759 coordinates,
2760 energy,
2761 forces,
2762 particleEnergy,
2763 *virial,
2764 particleVirial);
2765 break;
2766 case 212:
2767 ier = Compute<true, true, false, true, false, true, false, false>(
2768 modelCompute,
2769 modelComputeArguments,
2770 particleSpeciesCodes,
2771 particleContributing,
2772 coordinates,
2773 energy,
2774 forces,
2775 particleEnergy,
2776 *virial,
2777 particleVirial);
2778 break;
2779 case 213:
2780 ier = Compute<true, true, false, true, false, true, false, true>(
2781 modelCompute,
2782 modelComputeArguments,
2783 particleSpeciesCodes,
2784 particleContributing,
2785 coordinates,
2786 energy,
2787 forces,
2788 particleEnergy,
2789 *virial,
2790 particleVirial);
2791 break;
2792 case 214:
2793 ier = Compute<true, true, false, true, false, true, true, false>(
2794 modelCompute,
2795 modelComputeArguments,
2796 particleSpeciesCodes,
2797 particleContributing,
2798 coordinates,
2799 energy,
2800 forces,
2801 particleEnergy,
2802 *virial,
2803 particleVirial);
2804 break;
2805 case 215:
2806 ier = Compute<true, true, false, true, false, true, true, true>(
2807 modelCompute,
2808 modelComputeArguments,
2809 particleSpeciesCodes,
2810 particleContributing,
2811 coordinates,
2812 energy,
2813 forces,
2814 particleEnergy,
2815 *virial,
2816 particleVirial);
2817 break;
2818 case 216:
2819 ier = Compute<true, true, false, true, true, false, false, false>(
2820 modelCompute,
2821 modelComputeArguments,
2822 particleSpeciesCodes,
2823 particleContributing,
2824 coordinates,
2825 energy,
2826 forces,
2827 particleEnergy,
2828 *virial,
2829 particleVirial);
2830 break;
2831 case 217:
2832 ier = Compute<true, true, false, true, true, false, false, true>(
2833 modelCompute,
2834 modelComputeArguments,
2835 particleSpeciesCodes,
2836 particleContributing,
2837 coordinates,
2838 energy,
2839 forces,
2840 particleEnergy,
2841 *virial,
2842 particleVirial);
2843 break;
2844 case 218:
2845 ier = Compute<true, true, false, true, true, false, true, false>(
2846 modelCompute,
2847 modelComputeArguments,
2848 particleSpeciesCodes,
2849 particleContributing,
2850 coordinates,
2851 energy,
2852 forces,
2853 particleEnergy,
2854 *virial,
2855 particleVirial);
2856 break;
2857 case 219:
2858 ier = Compute<true, true, false, true, true, false, true, true>(
2859 modelCompute,
2860 modelComputeArguments,
2861 particleSpeciesCodes,
2862 particleContributing,
2863 coordinates,
2864 energy,
2865 forces,
2866 particleEnergy,
2867 *virial,
2868 particleVirial);
2869 break;
2870 case 220:
2871 ier = Compute<true, true, false, true, true, true, false, false>(
2872 modelCompute,
2873 modelComputeArguments,
2874 particleSpeciesCodes,
2875 particleContributing,
2876 coordinates,
2877 energy,
2878 forces,
2879 particleEnergy,
2880 *virial,
2881 particleVirial);
2882 break;
2883 case 221:
2884 ier = Compute<true, true, false, true, true, true, false, true>(
2885 modelCompute,
2886 modelComputeArguments,
2887 particleSpeciesCodes,
2888 particleContributing,
2889 coordinates,
2890 energy,
2891 forces,
2892 particleEnergy,
2893 *virial,
2894 particleVirial);
2895 break;
2896 case 222:
2897 ier = Compute<true, true, false, true, true, true, true, false>(
2898 modelCompute,
2899 modelComputeArguments,
2900 particleSpeciesCodes,
2901 particleContributing,
2902 coordinates,
2903 energy,
2904 forces,
2905 particleEnergy,
2906 *virial,
2907 particleVirial);
2908 break;
2909 case 223:
2910 ier = Compute<true, true, false, true, true, true, true, true>(
2911 modelCompute,
2912 modelComputeArguments,
2913 particleSpeciesCodes,
2914 particleContributing,
2915 coordinates,
2916 energy,
2917 forces,
2918 particleEnergy,
2919 *virial,
2920 particleVirial);
2921 break;
2922 case 224:
2923 ier = Compute<true, true, true, false, false, false, false, false>(
2924 modelCompute,
2925 modelComputeArguments,
2926 particleSpeciesCodes,
2927 particleContributing,
2928 coordinates,
2929 energy,
2930 forces,
2931 particleEnergy,
2932 *virial,
2933 particleVirial);
2934 break;
2935 case 225:
2936 ier = Compute<true, true, true, false, false, false, false, true>(
2937 modelCompute,
2938 modelComputeArguments,
2939 particleSpeciesCodes,
2940 particleContributing,
2941 coordinates,
2942 energy,
2943 forces,
2944 particleEnergy,
2945 *virial,
2946 particleVirial);
2947 break;
2948 case 226:
2949 ier = Compute<true, true, true, false, false, false, true, false>(
2950 modelCompute,
2951 modelComputeArguments,
2952 particleSpeciesCodes,
2953 particleContributing,
2954 coordinates,
2955 energy,
2956 forces,
2957 particleEnergy,
2958 *virial,
2959 particleVirial);
2960 break;
2961 case 227:
2962 ier = Compute<true, true, true, false, false, false, true, true>(
2963 modelCompute,
2964 modelComputeArguments,
2965 particleSpeciesCodes,
2966 particleContributing,
2967 coordinates,
2968 energy,
2969 forces,
2970 particleEnergy,
2971 *virial,
2972 particleVirial);
2973 break;
2974 case 228:
2975 ier = Compute<true, true, true, false, false, true, false, false>(
2976 modelCompute,
2977 modelComputeArguments,
2978 particleSpeciesCodes,
2979 particleContributing,
2980 coordinates,
2981 energy,
2982 forces,
2983 particleEnergy,
2984 *virial,
2985 particleVirial);
2986 break;
2987 case 229:
2988 ier = Compute<true, true, true, false, false, true, false, true>(
2989 modelCompute,
2990 modelComputeArguments,
2991 particleSpeciesCodes,
2992 particleContributing,
2993 coordinates,
2994 energy,
2995 forces,
2996 particleEnergy,
2997 *virial,
2998 particleVirial);
2999 break;
3000 case 230:
3001 ier = Compute<true, true, true, false, false, true, true, false>(
3002 modelCompute,
3003 modelComputeArguments,
3004 particleSpeciesCodes,
3005 particleContributing,
3006 coordinates,
3007 energy,
3008 forces,
3009 particleEnergy,
3010 *virial,
3011 particleVirial);
3012 break;
3013 case 231:
3014 ier = Compute<true, true, true, false, false, true, true, true>(
3015 modelCompute,
3016 modelComputeArguments,
3017 particleSpeciesCodes,
3018 particleContributing,
3019 coordinates,
3020 energy,
3021 forces,
3022 particleEnergy,
3023 *virial,
3024 particleVirial);
3025 break;
3026 case 232:
3027 ier = Compute<true, true, true, false, true, false, false, false>(
3028 modelCompute,
3029 modelComputeArguments,
3030 particleSpeciesCodes,
3031 particleContributing,
3032 coordinates,
3033 energy,
3034 forces,
3035 particleEnergy,
3036 *virial,
3037 particleVirial);
3038 break;
3039 case 233:
3040 ier = Compute<true, true, true, false, true, false, false, true>(
3041 modelCompute,
3042 modelComputeArguments,
3043 particleSpeciesCodes,
3044 particleContributing,
3045 coordinates,
3046 energy,
3047 forces,
3048 particleEnergy,
3049 *virial,
3050 particleVirial);
3051 break;
3052 case 234:
3053 ier = Compute<true, true, true, false, true, false, true, false>(
3054 modelCompute,
3055 modelComputeArguments,
3056 particleSpeciesCodes,
3057 particleContributing,
3058 coordinates,
3059 energy,
3060 forces,
3061 particleEnergy,
3062 *virial,
3063 particleVirial);
3064 break;
3065 case 235:
3066 ier = Compute<true, true, true, false, true, false, true, true>(
3067 modelCompute,
3068 modelComputeArguments,
3069 particleSpeciesCodes,
3070 particleContributing,
3071 coordinates,
3072 energy,
3073 forces,
3074 particleEnergy,
3075 *virial,
3076 particleVirial);
3077 break;
3078 case 236:
3079 ier = Compute<true, true, true, false, true, true, false, false>(
3080 modelCompute,
3081 modelComputeArguments,
3082 particleSpeciesCodes,
3083 particleContributing,
3084 coordinates,
3085 energy,
3086 forces,
3087 particleEnergy,
3088 *virial,
3089 particleVirial);
3090 break;
3091 case 237:
3092 ier = Compute<true, true, true, false, true, true, false, true>(
3093 modelCompute,
3094 modelComputeArguments,
3095 particleSpeciesCodes,
3096 particleContributing,
3097 coordinates,
3098 energy,
3099 forces,
3100 particleEnergy,
3101 *virial,
3102 particleVirial);
3103 break;
3104 case 238:
3105 ier = Compute<true, true, true, false, true, true, true, false>(
3106 modelCompute,
3107 modelComputeArguments,
3108 particleSpeciesCodes,
3109 particleContributing,
3110 coordinates,
3111 energy,
3112 forces,
3113 particleEnergy,
3114 *virial,
3115 particleVirial);
3116 break;
3117 case 239:
3118 ier = Compute<true, true, true, false, true, true, true, true>(
3119 modelCompute,
3120 modelComputeArguments,
3121 particleSpeciesCodes,
3122 particleContributing,
3123 coordinates,
3124 energy,
3125 forces,
3126 particleEnergy,
3127 *virial,
3128 particleVirial);
3129 break;
3130 case 240:
3131 ier = Compute<true, true, true, true, false, false, false, false>(
3132 modelCompute,
3133 modelComputeArguments,
3134 particleSpeciesCodes,
3135 particleContributing,
3136 coordinates,
3137 energy,
3138 forces,
3139 particleEnergy,
3140 *virial,
3141 particleVirial);
3142 break;
3143 case 241:
3144 ier = Compute<true, true, true, true, false, false, false, true>(
3145 modelCompute,
3146 modelComputeArguments,
3147 particleSpeciesCodes,
3148 particleContributing,
3149 coordinates,
3150 energy,
3151 forces,
3152 particleEnergy,
3153 *virial,
3154 particleVirial);
3155 break;
3156 case 242:
3157 ier = Compute<true, true, true, true, false, false, true, false>(
3158 modelCompute,
3159 modelComputeArguments,
3160 particleSpeciesCodes,
3161 particleContributing,
3162 coordinates,
3163 energy,
3164 forces,
3165 particleEnergy,
3166 *virial,
3167 particleVirial);
3168 break;
3169 case 243:
3170 ier = Compute<true, true, true, true, false, false, true, true>(
3171 modelCompute,
3172 modelComputeArguments,
3173 particleSpeciesCodes,
3174 particleContributing,
3175 coordinates,
3176 energy,
3177 forces,
3178 particleEnergy,
3179 *virial,
3180 particleVirial);
3181 break;
3182 case 244:
3183 ier = Compute<true, true, true, true, false, true, false, false>(
3184 modelCompute,
3185 modelComputeArguments,
3186 particleSpeciesCodes,
3187 particleContributing,
3188 coordinates,
3189 energy,
3190 forces,
3191 particleEnergy,
3192 *virial,
3193 particleVirial);
3194 break;
3195 case 245:
3196 ier = Compute<true, true, true, true, false, true, false, true>(
3197 modelCompute,
3198 modelComputeArguments,
3199 particleSpeciesCodes,
3200 particleContributing,
3201 coordinates,
3202 energy,
3203 forces,
3204 particleEnergy,
3205 *virial,
3206 particleVirial);
3207 break;
3208 case 246:
3209 ier = Compute<true, true, true, true, false, true, true, false>(
3210 modelCompute,
3211 modelComputeArguments,
3212 particleSpeciesCodes,
3213 particleContributing,
3214 coordinates,
3215 energy,
3216 forces,
3217 particleEnergy,
3218 *virial,
3219 particleVirial);
3220 break;
3221 case 247:
3222 ier = Compute<true, true, true, true, false, true, true, true>(
3223 modelCompute,
3224 modelComputeArguments,
3225 particleSpeciesCodes,
3226 particleContributing,
3227 coordinates,
3228 energy,
3229 forces,
3230 particleEnergy,
3231 *virial,
3232 particleVirial);
3233 break;
3234 case 248:
3235 ier = Compute<true, true, true, true, true, false, false, false>(
3236 modelCompute,
3237 modelComputeArguments,
3238 particleSpeciesCodes,
3239 particleContributing,
3240 coordinates,
3241 energy,
3242 forces,
3243 particleEnergy,
3244 *virial,
3245 particleVirial);
3246 break;
3247 case 249:
3248 ier = Compute<true, true, true, true, true, false, false, true>(
3249 modelCompute,
3250 modelComputeArguments,
3251 particleSpeciesCodes,
3252 particleContributing,
3253 coordinates,
3254 energy,
3255 forces,
3256 particleEnergy,
3257 *virial,
3258 particleVirial);
3259 break;
3260 case 250:
3261 ier = Compute<true, true, true, true, true, false, true, false>(
3262 modelCompute,
3263 modelComputeArguments,
3264 particleSpeciesCodes,
3265 particleContributing,
3266 coordinates,
3267 energy,
3268 forces,
3269 particleEnergy,
3270 *virial,
3271 particleVirial);
3272 break;
3273 case 251:
3274 ier = Compute<true, true, true, true, true, false, true, true>(
3275 modelCompute,
3276 modelComputeArguments,
3277 particleSpeciesCodes,
3278 particleContributing,
3279 coordinates,
3280 energy,
3281 forces,
3282 particleEnergy,
3283 *virial,
3284 particleVirial);
3285 break;
3286 case 252:
3287 ier = Compute<true, true, true, true, true, true, false, false>(
3288 modelCompute,
3289 modelComputeArguments,
3290 particleSpeciesCodes,
3291 particleContributing,
3292 coordinates,
3293 energy,
3294 forces,
3295 particleEnergy,
3296 *virial,
3297 particleVirial);
3298 break;
3299 case 253:
3300 ier = Compute<true, true, true, true, true, true, false, true>(
3301 modelCompute,
3302 modelComputeArguments,
3303 particleSpeciesCodes,
3304 particleContributing,
3305 coordinates,
3306 energy,
3307 forces,
3308 particleEnergy,
3309 *virial,
3310 particleVirial);
3311 break;
3312 case 254:
3313 ier = Compute<true, true, true, true, true, true, true, false>(
3314 modelCompute,
3315 modelComputeArguments,
3316 particleSpeciesCodes,
3317 particleContributing,
3318 coordinates,
3319 energy,
3320 forces,
3321 particleEnergy,
3322 *virial,
3323 particleVirial);
3324 break;
3325 case 255:
3326 ier = Compute<true, true, true, true, true, true, true, true>(
3327 modelCompute,
3328 modelComputeArguments,
3329 particleSpeciesCodes,
3330 particleContributing,
3331 coordinates,
3332 energy,
3333 forces,
3334 particleEnergy,
3335 *virial,
3336 particleVirial);
3337 break;
3338 default:
3339 std::cout << "Unknown compute function index" << std::endl;
3340 ier = true;
3341 break;
3342}