| 529 |
|
//usePBC and useRF are from simParams |
| 530 |
|
int usePBC = simParams_->getUsePeriodicBoundaryConditions(); |
| 531 |
|
int useRF; |
| 532 |
< |
int useDW; |
| 532 |
> |
int useSF; |
| 533 |
|
std::string myMethod; |
| 534 |
|
|
| 535 |
|
// set the useRF logical |
| 536 |
|
useRF = 0; |
| 537 |
< |
useDW = 0; |
| 537 |
> |
useSF = 0; |
| 538 |
|
|
| 539 |
|
|
| 540 |
|
if (simParams_->haveElectrostaticSummationMethod()) { |
| 543 |
|
if (myMethod == "REACTION_FIELD") { |
| 544 |
|
useRF=1; |
| 545 |
|
} else { |
| 546 |
< |
if (myMethod == "SHIFTED_POTENTIAL") { |
| 547 |
< |
useDW = 1; |
| 546 |
> |
if (myMethod == "SHIFTED_FORCE") { |
| 547 |
> |
useSF = 1; |
| 548 |
|
} |
| 549 |
|
} |
| 550 |
|
} |
| 613 |
|
temp = useRF; |
| 614 |
|
MPI_Allreduce(&temp, &useRF, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD); |
| 615 |
|
|
| 616 |
< |
temp = useDW; |
| 617 |
< |
MPI_Allreduce(&temp, &useDW, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD); |
| 616 |
> |
temp = useSF; |
| 617 |
> |
MPI_Allreduce(&temp, &useSF, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD); |
| 618 |
|
|
| 619 |
|
#endif |
| 620 |
|
|
| 631 |
|
fInfo_.SIM_uses_Shapes = useShape; |
| 632 |
|
fInfo_.SIM_uses_FLARB = useFLARB; |
| 633 |
|
fInfo_.SIM_uses_RF = useRF; |
| 634 |
< |
fInfo_.SIM_uses_DampedWolf = useDW; |
| 634 |
> |
fInfo_.SIM_uses_SF = useSF; |
| 635 |
|
|
| 636 |
|
if( myMethod == "REACTION_FIELD") { |
| 637 |
|
|