| 391 |
|
} |
| 392 |
|
|
| 393 |
|
|
| 394 |
< |
void WATER::initForceField( int ljMixRule ){ |
| 394 |
> |
void WATER::initForceField(){ |
| 395 |
|
|
| 396 |
< |
initFortran( ljMixRule, entry_plug->useReactionField ); |
| 396 |
> |
initFortran(entry_plug->useReactionField ); |
| 397 |
|
} |
| 398 |
|
|
| 399 |
|
|
| 568 |
|
if ( currentDirectionalType->isDipole ) entry_plug->useDipoles = 1; |
| 569 |
|
if ( currentDirectionalType->isSticky ) { |
| 570 |
|
entry_plug->useSticky = 1; |
| 571 |
< |
set_sticky_params( &(currentDirectionalType->w0), |
| 571 |
> |
makeStickyType( &(currentDirectionalType->w0), |
| 572 |
|
&(currentDirectionalType->v0), |
| 573 |
|
&(currentDirectionalType->v0p), |
| 574 |
|
&(currentDirectionalType->rl), |