--- trunk/OOPSE/libmdtools/SimSetup.cpp 2003/07/22 19:54:52 645 +++ trunk/OOPSE/libmdtools/SimSetup.cpp 2003/07/25 20:00:17 653 @@ -24,8 +24,8 @@ #define FF_DUFF 0 #define FF_LJ 1 +#define FF_EAM 2 - SimSetup::SimSetup(){ stamps = new MakeStamps(); globals = new Globals(); @@ -586,6 +586,7 @@ void SimSetup::gatherInfo( void ){ if( !strcasecmp( force_field, "DUFF" )) ffCase = FF_DUFF; else if( !strcasecmp( force_field, "LJ" )) ffCase = FF_LJ; + else if( !strcasecmp( force_field, "EAM" )) ffCase = FF_EAM; else{ sprintf( painCave.errMsg, "SimSetup Error. Unrecognized force field -> %s\n", @@ -1032,6 +1033,10 @@ void SimSetup::createFF( void ){ the_ff = new LJFF(); break; + case FF_EAM: + the_ff = new EAM_FF(); + break; + default: sprintf( painCave.errMsg, "SimSetup Error. Unrecognized force field in case statement.\n");