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), |