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root/group/branches/new_design/OOPSE-3.0/src/UseTheForce/EAM_FF.cpp
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Comparing trunk/OOPSE-3.0/src/UseTheForce/EAM_FF.cpp (file contents):
Revision 1634 by gezelter, Fri Oct 22 21:21:02 2004 UTC vs.
Revision 1650 by gezelter, Tue Oct 26 22:24:52 2004 UTC

# Line 484 | Line 484 | void EAM_FF::readParams( void ){
484      currentAtomType = currentAtomType->next;
485    }
486        
487 <  entry_plug->useLJ = 0;
487 >  entry_plug->useLennardJones = 0;
488    entry_plug->useEAM = 1;
489    // Walk down again and send out EAM type
490    currentAtomType = headAtomType->next;
# Line 1065 | Line 1065 | int EAM_NS::parseEAM(atomStruct &info, char *eamPotFil
1065    fclose(eamFile);
1066    return 0;
1067   }
1068 –
1069 – double EAM_FF::getAtomTypeMass (char* atomType) {
1070 –
1071 –  currentAtomType = headAtomType->find( atomType );
1072 –  if( currentAtomType == NULL ){
1073 –    sprintf( painCave.errMsg,
1074 –            "AtomType error, %s not found in force file.\n",
1075 –             atomType );
1076 –    painCave.isFatal = 1;
1077 –    simError();
1078 –  }
1079 –
1080 –  return currentAtomType->mass;
1081 – }
1082 –

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