161 |
|
} |
162 |
|
|
163 |
|
//setup sticky atom type in fortran side |
164 |
< |
if (isSticky()) { |
164 |
> |
if (isSticky() || isStickyPower()) { |
165 |
|
data = getPropertyByName("Sticky"); |
166 |
|
if (data != NULL) { |
167 |
|
StickyParamGenericData* stickyData = dynamic_cast<StickyParamGenericData*>(data); |
169 |
|
if (stickyData != NULL) { |
170 |
|
StickyParam stickyParam = stickyData->getData(); |
171 |
|
|
172 |
< |
newStickyType(&atp.ident,&stickyParam.w0, &stickyParam.v0, &stickyParam.v0p, &stickyParam.rl, |
173 |
< |
&stickyParam.ru, &stickyParam.rlp, &stickyParam.rup, &isError); |
172 |
> |
newStickyType(&atp.ident,&stickyParam.w0, &stickyParam.v0, |
173 |
> |
&stickyParam.v0p, &stickyParam.rl, &stickyParam.ru, |
174 |
> |
&stickyParam.rlp, &stickyParam.rup, &isError); |
175 |
|
if (isError != 0) { |
176 |
|
sprintf( painCave.errMsg, |
177 |
|
"Fortran rejected newLJtype\n"); |