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root/group/trunk/OOPSE/libmdtools/SimSetup.cpp
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Comparing trunk/OOPSE/libmdtools/SimSetup.cpp (file contents):
Revision 645 by tim, Tue Jul 22 19:54:52 2003 UTC vs.
Revision 653 by chuckv, Fri Jul 25 20:00:17 2003 UTC

# Line 24 | Line 24
24  
25   #define FF_DUFF 0
26   #define FF_LJ   1
27 + #define FF_EAM  2
28  
28 –
29   SimSetup::SimSetup(){
30    stamps = new MakeStamps();
31    globals = new Globals();
# Line 586 | Line 586 | void SimSetup::gatherInfo( void ){
586  
587    if( !strcasecmp( force_field, "DUFF" )) ffCase = FF_DUFF;
588    else if( !strcasecmp( force_field, "LJ" )) ffCase = FF_LJ;
589 +  else if( !strcasecmp( force_field, "EAM" )) ffCase = FF_EAM;
590    else{
591      sprintf( painCave.errMsg,
592               "SimSetup Error. Unrecognized force field -> %s\n",
# Line 1032 | Line 1033 | void SimSetup::createFF( void ){
1033      the_ff = new LJFF();
1034      break;
1035  
1036 +  case FF_EAM:
1037 +    the_ff = new EAM_FF();
1038 +    break;
1039 +
1040    default:
1041      sprintf( painCave.errMsg,
1042               "SimSetup Error. Unrecognized force field in case statement.\n");

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