193 |
|
painCave.isFatal = 1; |
194 |
|
simError(); |
195 |
|
} |
196 |
< |
} |
196 |
> |
} |
197 |
|
|
198 |
< |
//setup GayBerne type in fortran side |
198 |
> |
//setup GayBerne type in fortran side |
199 |
|
if (isGayBerne()) { |
200 |
|
data = getPropertyByName("GayBerne"); |
201 |
|
if (data != NULL) { |
202 |
|
GayBerneParamGenericData* gayBerneData = dynamic_cast<GayBerneParamGenericData*>(data); |
203 |
|
|
204 |
|
if (gayBerneData != NULL) { |
205 |
< |
GayBerneParam gayBerneParam = gayBerneData->getData(); |
206 |
< |
|
207 |
< |
newGayBerneType(&atp.ident, |
208 |
< |
&gayBerneParam.GB_sigma, |
209 |
< |
&gayBerneParam.GB_l2b_ratio, |
210 |
< |
&gayBerneParam.GB_eps, |
205 |
> |
GayBerneParam gayBerneParam = gayBerneData->getData(); |
206 |
> |
|
207 |
> |
newGayBerneType(&atp.ident, |
208 |
> |
&gayBerneParam.GB_d, |
209 |
> |
&gayBerneParam.GB_l, |
210 |
> |
&gayBerneParam.GB_eps, |
211 |
|
&gayBerneParam.GB_eps_ratio, |
212 |
< |
&gayBerneParam.GB_mu, |
213 |
< |
&gayBerneParam.GB_nu, &isError); |
212 |
> |
&gayBerneParam.GB_dw, |
213 |
> |
&isError); |
214 |
|
|
215 |
|
if (isError != 0) { |
216 |
|
sprintf( painCave.errMsg, |