| 761 |
|
while( currentAtomType != NULL ){ |
| 762 |
|
|
| 763 |
|
if(currentAtomType->isDipole) entry_plug->useDipole = 1; |
| 764 |
< |
if(currentAtomType->isSSD) entry_plug->useSticky = 1; |
| 764 |
> |
if(currentAtomType->isSSD) { |
| 765 |
> |
entry_plug->useSticky = 1; |
| 766 |
> |
set_sticky_params( &(currentAtomType->w0), &(currentAtomType->v0)); |
| 767 |
> |
} |
| 768 |
|
|
| 769 |
|
if( currentAtomType->name[0] != '\0' ){ |
| 770 |
|
isError = 0; |
| 776 |
|
&(currentAtomType->epslon), |
| 777 |
|
&(currentAtomType->sigma), |
| 778 |
|
&(currentAtomType->dipole), |
| 776 |
– |
&(currentAtomType->w0), |
| 777 |
– |
&(currentAtomType->v0), |
| 778 |
– |
&GB_dummy, |
| 779 |
– |
&GB_dummy, |
| 780 |
– |
&GB_dummy, |
| 781 |
– |
&GB_dummy, |
| 782 |
– |
&GB_dummy, |
| 783 |
– |
&GB_dummy, |
| 779 |
|
&isError ); |
| 780 |
|
if( isError ){ |
| 781 |
|
sprintf( painCave.errMsg, |