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root/group/trunk/OOPSE-3.0/src/types/DirectionalAtomType.cpp
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Comparing trunk/OOPSE-3.0/src/types/DirectionalAtomType.cpp (file contents):
Revision 2228 by chuckv, Tue May 17 04:20:09 2005 UTC vs.
Revision 2375 by gezelter, Mon Oct 17 19:12:45 2005 UTC

# Line 204 | Line 204 | namespace oopse {
204              if (gayBerneData != NULL) {
205                  GayBerneParam gayBerneParam = gayBerneData->getData();
206  
207 <                /**@todo change fortran interface */
208 <                //makeGayBerneType(&atp.ident, &gayBerneParam.w0, &gayBerneParam.v0, &gayBerneParam.v0p, &gayBerneParam.rl,
209 <                //    &gayBerneParam.ru, &gayBerneParam.rlp, &gayBerneParam.rup);
210 <                newGayBerneType(&gayBerneParam.GB_sigma, &gayBerneParam.GB_12b_ratio, &gayBerneParam.GB_eps,
211 <                                &gayBerneParam.GB_eps_ratio, &gayBerneParam.GB_mu, &gayBerneParam.GB_nu);
207 >                newGayBerneType(&atp.ident,
208 >                                &gayBerneParam.GB_sigma,
209 >                                &gayBerneParam.GB_l2b_ratio,
210 >                                &gayBerneParam.GB_eps,
211 >                                &gayBerneParam.GB_eps_ratio,
212 >                                &gayBerneParam.GB_mu,
213 >                                &gayBerneParam.GB_nu, &isError);
214 >
215                  if (isError != 0) {
216                      sprintf( painCave.errMsg,
217 <                           "Fortran rejected newGayBernetype\n");
217 >                           "Fortran rejected newGayBerneType\n");
218                      painCave.severity = OOPSE_ERROR;
219                      painCave.isFatal = 1;
220                      simError();          

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