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root/group/trunk/OOPSE/libmdtools/DUFF.cpp
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Comparing trunk/OOPSE/libmdtools/DUFF.cpp (file contents):
Revision 564 by mmeineke, Tue Jun 24 19:57:54 2003 UTC vs.
Revision 631 by chuckv, Thu Jul 17 19:25:51 2003 UTC

# Line 22 | Line 22 | namespace TPE {  // restrict the access of the folowin
22   #define HARMONIC_BOND 1
23  
24  
25 < namespace TPE {  // restrict the access of the folowing to this file only.
25 > namespace DUFF_NS {  // restrict the access of the folowing to this file only.
26  
27  
28    // Declare the structures that will be passed by MPI
# Line 420 | Line 420 | using namespace TPE;
420  
421   } // namespace
422  
423 < using namespace TPE;
423 > using namespace DUFF_NS;
424  
425  
426   //****************************************************************
# Line 764 | Line 764 | void DUFF::readParams( void ){
764    
765    int isGB = 0;
766    int isLJ = 1;
767 +  int isEAM =0;
768    double GB_dummy = 0.0;
769    
770    
# Line 783 | Line 784 | void DUFF::readParams( void ){
784                   &(currentAtomType->isSSD),
785                   &(currentAtomType->isDipole),
786                   &isGB,
787 +                 &isEAM,
788                   &(currentAtomType->epslon),
789                   &(currentAtomType->sigma),
790                   &(currentAtomType->dipole),
# Line 1408 | Line 1410 | int TPE::parseAtom( char *lineBuffer, int lineNum, ato
1410   }
1411  
1412  
1413 < int TPE::parseAtom( char *lineBuffer, int lineNum, atomStruct &info ){
1413 > int DUFF_NS::parseAtom( char *lineBuffer, int lineNum, atomStruct &info ){
1414  
1415    char* the_token;
1416    
# Line 1502 | Line 1504 | int TPE::parseBond( char *lineBuffer, int lineNum, bon
1504    else return 0;
1505   }
1506  
1507 < int TPE::parseBond( char *lineBuffer, int lineNum, bondStruct &info ){
1507 > int DUFF_NS::parseBond( char *lineBuffer, int lineNum, bondStruct &info ){
1508  
1509    char* the_token;
1510    char bondType[30];
# Line 1579 | Line 1581 | int TPE::parseBend( char *lineBuffer, int lineNum, ben
1581   }
1582  
1583  
1584 < int TPE::parseBend( char *lineBuffer, int lineNum, bendStruct &info ){
1584 > int DUFF_NS::parseBend( char *lineBuffer, int lineNum, bendStruct &info ){
1585  
1586    char* the_token;
1587    
# Line 1667 | Line 1669 | int TPE::parseTorsion( char *lineBuffer, int lineNum,
1669    else return 0;
1670   }
1671  
1672 < int TPE::parseTorsion( char *lineBuffer, int lineNum, torsionStruct &info ){
1672 > int DUFF_NS::parseTorsion( char *lineBuffer, int lineNum, torsionStruct &info ){
1673    
1674    char*  the_token;
1675  

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