--- trunk/OOPSE-1.0/libmdtools/EAM_FF.cpp 2004/07/16 18:58:03 1334 +++ trunk/OOPSE-1.0/libmdtools/EAM_FF.cpp 2004/07/28 16:26:33 1426 @@ -1087,3 +1087,18 @@ int EAM_NS::parseEAM(atomStruct &info, char *eamPotFil fclose(eamFile); return 0; } + +double EAM_FF::getAtomTypeMass (char* atomType) { + + currentAtomType = headAtomType->find( atomType ); + if( currentAtomType == NULL ){ + sprintf( painCave.errMsg, + "AtomType error, %s not found in force file.\n", + atomType ); + painCave.isFatal = 1; + simError(); + } + + return currentAtomType->mass; +} +