--- trunk/OOPSE/libmdtools/DUFF.cpp 2003/06/24 19:57:54 564 +++ trunk/OOPSE/libmdtools/DUFF.cpp 2003/07/17 19:25:51 631 @@ -22,7 +22,7 @@ using namespace std; #define HARMONIC_BOND 1 -namespace TPE { // restrict the access of the folowing to this file only. +namespace DUFF_NS { // restrict the access of the folowing to this file only. // Declare the structures that will be passed by MPI @@ -420,7 +420,7 @@ namespace TPE { // restrict the access of the folowin } // namespace -using namespace TPE; +using namespace DUFF_NS; //**************************************************************** @@ -764,6 +764,7 @@ void DUFF::readParams( void ){ int isGB = 0; int isLJ = 1; + int isEAM =0; double GB_dummy = 0.0; @@ -783,6 +784,7 @@ void DUFF::readParams( void ){ &(currentAtomType->isSSD), &(currentAtomType->isDipole), &isGB, + &isEAM, &(currentAtomType->epslon), &(currentAtomType->sigma), &(currentAtomType->dipole), @@ -1408,7 +1410,7 @@ void DUFF::fastForward( char* stopText, char* searchOw } -int TPE::parseAtom( char *lineBuffer, int lineNum, atomStruct &info ){ +int DUFF_NS::parseAtom( char *lineBuffer, int lineNum, atomStruct &info ){ char* the_token; @@ -1502,7 +1504,7 @@ int TPE::parseAtom( char *lineBuffer, int lineNum, ato else return 0; } -int TPE::parseBond( char *lineBuffer, int lineNum, bondStruct &info ){ +int DUFF_NS::parseBond( char *lineBuffer, int lineNum, bondStruct &info ){ char* the_token; char bondType[30]; @@ -1579,7 +1581,7 @@ int TPE::parseBond( char *lineBuffer, int lineNum, bon } -int TPE::parseBend( char *lineBuffer, int lineNum, bendStruct &info ){ +int DUFF_NS::parseBend( char *lineBuffer, int lineNum, bendStruct &info ){ char* the_token; @@ -1667,7 +1669,7 @@ int TPE::parseBend( char *lineBuffer, int lineNum, ben else return 0; } -int TPE::parseTorsion( char *lineBuffer, int lineNum, torsionStruct &info ){ +int DUFF_NS::parseTorsion( char *lineBuffer, int lineNum, torsionStruct &info ){ char* the_token;