| # | 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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