# | 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 | + |
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