kim-api  2.3.0+v2.3.0.GNU.GNU.
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
LennardJones612ImplementationComputeDispatch.cpp
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1 switch (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 }
KIM::COMPUTE_ARGUMENT_NAME::coordinates
ComputeArgumentName const coordinates
The standard coordinates argument.
KIM::COMPUTE_ARGUMENT_NAME::particleContributing
ComputeArgumentName const particleContributing
The standard particleContributing argument.
KIM::COMPUTE_ARGUMENT_NAME::particleSpeciesCodes
ComputeArgumentName const particleSpeciesCodes
The standard particleSpeciesCodes argument.
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