Difference for src/ComputeNonbondedPair.C from version 1.1068 to 1.1069

version 1.1068version 1.1069
Line 267
Line 267
    params.v[1] = v[b];    params.v[1] = v[b];
       }       }
       // END LA       // END LA
       params.ff[0] = r[a]->f[Results::nbond];       params.ff[0] = r[a]->f[Results::nbond_virial];
       params.ff[1] = r[b]->f[Results::nbond];       params.ff[1] = r[b]->f[Results::nbond_virial];
       params.numAtoms[0] = numAtoms[a];       params.numAtoms[0] = numAtoms[a];
       params.numAtoms[1] = numAtoms[b];       params.numAtoms[1] = numAtoms[b];
       params.step = patch[0]->flags.step;       params.step = patch[0]->flags.step;
Line 288
Line 288
       //force calculation calls       //force calculation calls
       if ( patch[0]->flags.doFullElectrostatics )       if ( patch[0]->flags.doFullElectrostatics )
       {       {
  params.fullf[0] = r[a]->f[Results::slow];  params.fullf[0] = r[a]->f[Results::slow_virial];
  params.fullf[1] = r[b]->f[Results::slow];  params.fullf[1] = r[b]->f[Results::slow_virial];
  if ( patch[0]->flags.doMolly ) {  if ( patch[0]->flags.doMolly ) {
           if ( doEnergy )           if ( doEnergy )
             calcPairEnergy(&params);             calcPairEnergy(&params);

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 Added in v.1.1069


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