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root/group/trunk/OOPSE/libmdtools/ForceFields.cpp
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Comparing trunk/OOPSE/libmdtools/ForceFields.cpp (file contents):
Revision 1097 by gezelter, Mon Apr 12 20:32:20 2004 UTC vs.
Revision 1142 by tim, Thu Apr 29 02:11:49 2004 UTC

# Line 78 | Line 78 | void ForceFields::doForces( int calcPot, int calcStres
78    double* pos;
79    double* trq;
80    double* A;
81 <  double* u_l;;
81 >  double* u_l;
82 >  double* rc;
83 >  double* massRatio;
84    SimState* config;
85  
86    short int passedCalcPot = (short int)calcPot;
# Line 112 | Line 114 | void ForceFields::doForces( int calcPot, int calcStres
114    trq = config->getTrqArray();
115    A   = config->getAmatArray();
116    u_l = config->getUlArray();
117 +  rc = config->getRcArray();
118 +  massRatio = config->getMassRatioArray();
119  
120    isError = 0;
121    entry_plug->lrPot = 0.0;
# Line 126 | Line 130 | void ForceFields::doForces( int calcPot, int calcStres
130   #endif
131  
132    fortranForceLoop( pos,
133 +                    rc,
134 +                    massRatio,
135                      A,
136                      u_l,
137                      frc,
# Line 136 | Line 142 | void ForceFields::doForces( int calcPot, int calcStres
142                      &passedCalcStress,
143                      &isError );
144  
145 +
146   #ifdef PROFILE
147    endProfile(pro8);
148   #endif

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