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root/OpenMD/trunk/src/brains/SimInfo.hpp
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Comparing trunk/src/brains/SimInfo.hpp (file contents):
Revision 124 by chuckv, Wed Oct 20 20:46:20 2004 UTC vs.
Revision 221 by chrisfen, Tue Nov 23 22:48:31 2004 UTC

# Line 88 | Line 88 | class SimInfo{ (public)
88  
89    
90    int usePBC; // whether we use periodic boundry conditions.
91 <  int useLJ;
92 <  int useSticky;
91 >  int useDirectionalAtoms;
92 >  int useLennardJones;
93 >  int useElectrostatics;
94    int useCharges;
95    int useDipoles;
96 <  int useReactionField;
97 <  int useGB;
96 >  int useSticky;
97 >  int useGayBerne;
98    int useEAM;
99 +  int useShapes;
100 +  int useFLARB;
101 +  int useReactionField;
102    bool haveCutoffGroups;
103    bool useInitXSstate;
104    double orthoTolerance;
# Line 127 | Line 131 | class SimInfo{ (public)
131    string finalName;  // the name of the eor file to be written
132    string sampleName; // the name of the dump file to be written
133    string statusName; // the name of the stat file to be written
134 +  string zAngleName; // the name of the ang file to be written
135  
136    int seed;                    //seed for random number generator
137  

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