| 519 |
|
int useLennardJones = 0; |
| 520 |
|
int useElectrostatic = 0; |
| 521 |
|
int useEAM = 0; |
| 522 |
+ |
int useSC = 0; |
| 523 |
|
int useCharge = 0; |
| 524 |
|
int useDirectional = 0; |
| 525 |
|
int useDipole = 0; |
| 558 |
|
useLennardJones |= (*i)->isLennardJones(); |
| 559 |
|
useElectrostatic |= (*i)->isElectrostatic(); |
| 560 |
|
useEAM |= (*i)->isEAM(); |
| 561 |
+ |
useSC |= (*i)->isSC(); |
| 562 |
|
useCharge |= (*i)->isCharge(); |
| 563 |
|
useDirectional |= (*i)->isDirectional(); |
| 564 |
|
useDipole |= (*i)->isDipole(); |
| 609 |
|
temp = useEAM; |
| 610 |
|
MPI_Allreduce(&temp, &useEAM, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD); |
| 611 |
|
|
| 612 |
+ |
temp = useSC; |
| 613 |
+ |
MPI_Allreduce(&temp, &useSC, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD); |
| 614 |
+ |
|
| 615 |
|
temp = useShape; |
| 616 |
|
MPI_Allreduce(&temp, &useShape, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD); |
| 617 |
|
|
| 636 |
|
fInfo_.SIM_uses_StickyPower = useStickyPower; |
| 637 |
|
fInfo_.SIM_uses_GayBerne = useGayBerne; |
| 638 |
|
fInfo_.SIM_uses_EAM = useEAM; |
| 639 |
+ |
fInfo_.SIM_uses_SC = useSC; |
| 640 |
|
fInfo_.SIM_uses_Shapes = useShape; |
| 641 |
|
fInfo_.SIM_uses_FLARB = useFLARB; |
| 642 |
|
fInfo_.SIM_uses_RF = useRF; |