# | Line 754 | Line 754 | void TraPPE_ExFF::readParams( void ){ | |
---|---|---|
754 | ||
755 | int isGB = 0; | |
756 | int isLJ = 1; | |
757 | + | int isEAM = 0; |
758 | + | int isCharge = 0; |
759 | double GB_dummy = 0.0; | |
760 | + | double charge = 0.0; |
761 | ||
762 | ||
763 | currentAtomType = headAtomType->next;; | |
# | Line 773 | Line 776 | void TraPPE_ExFF::readParams( void ){ | |
776 | &(currentAtomType->isSSD), | |
777 | &(currentAtomType->isDipole), | |
778 | &isGB, | |
779 | + | &isEAM, |
780 | + | &isCharge, |
781 | &(currentAtomType->epslon), | |
782 | &(currentAtomType->sigma), | |
783 | + | &charge, |
784 | &(currentAtomType->dipole), | |
785 | &isError ); | |
786 | if( isError ){ |
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