# | 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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