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root/group/trunk/OOPSE-4/src/types/DirectionalAtomType.cpp
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Comparing trunk/OOPSE-4/src/types/DirectionalAtomType.cpp (file contents):
Revision 2759 by tim, Wed May 17 21:51:42 2006 UTC vs.
Revision 2787 by gezelter, Mon Jun 5 18:24:45 2006 UTC

# Line 193 | Line 193 | namespace oopse {
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,

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