Difference for src/ComputeNonbondedSelf.C from version 1.1062 to 1.1063

version 1.1062version 1.1063
Line 199
Line 199
  params.v[1] = v;  params.v[1] = v;
     }     }
     // END LA     // END LA
  #ifndef NAMD_CUDA
     params.ff[0] = r->f[Results::nbond_virial];     params.ff[0] = r->f[Results::nbond_virial];
     params.ff[1] = r->f[Results::nbond_virial];     params.ff[1] = r->f[Results::nbond_virial];
  #endif
     params.numAtoms[0] = numAtoms;     params.numAtoms[0] = numAtoms;
     params.numAtoms[1] = numAtoms;     params.numAtoms[1] = numAtoms;
  
Line 253
Line 255
     if (numAtoms) {     if (numAtoms) {
     if ( patch->flags.doFullElectrostatics )     if ( patch->flags.doFullElectrostatics )
     {     {
  #ifndef NAMD_CUDA
       params.fullf[0] = r->f[Results::slow_virial];       params.fullf[0] = r->f[Results::slow_virial];
       params.fullf[1] = r->f[Results::slow_virial];       params.fullf[1] = r->f[Results::slow_virial];
  #endif
       if ( patch->flags.doMolly ) {       if ( patch->flags.doMolly ) {
         if ( doEnergy ) calcSelfEnergy(&params);         if ( doEnergy ) calcSelfEnergy(&params);
   else calcSelf(&params);   else calcSelf(&params);

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changed lines
 Added in v.1.1063


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