ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/OOPSE-1.0/libmdtools/EAM_FF.cpp
(Generate patch)

Comparing trunk/OOPSE-1.0/libmdtools/EAM_FF.cpp (file contents):
Revision 1334 by gezelter, Fri Jul 16 18:58:03 2004 UTC vs.
Revision 1426 by gezelter, Wed Jul 28 16:26:33 2004 UTC

# Line 1087 | Line 1087 | int EAM_NS::parseEAM(atomStruct &info, char *eamPotFil
1087    fclose(eamFile);
1088    return 0;
1089   }
1090 +
1091 + double EAM_FF::getAtomTypeMass (char* atomType) {
1092 +
1093 +  currentAtomType = headAtomType->find( atomType );
1094 +  if( currentAtomType == NULL ){
1095 +    sprintf( painCave.errMsg,
1096 +            "AtomType error, %s not found in force file.\n",
1097 +             atomType );
1098 +    painCave.isFatal = 1;
1099 +    simError();
1100 +  }
1101 +
1102 +  return currentAtomType->mass;
1103 + }
1104 +

Diff Legend

Removed lines
+ Added lines
< Changed lines
> Changed lines