Commit 763a00e8 authored by Tim Mattox's avatar Tim Mattox
Browse files

USER-DPD: pair_multi_lucy_rx bugfix for systems with multiple atom types

parent 9a560b90

src/USER-DPD/pair_multi_lucy_rx.cpp

+8 −8
Original line number Diff line number Diff line
@@ -923,6 +923,7 @@ void PairMultiLucyRX::computeLocalDensity() 
          rho_i += factor;

          if (newton_pair || j < nlocal)

            rho[j] += factor;

        }

      } else if (rsq < cutsq[itype][jtype]) {

        const double rcut = sqrt(cutsq[itype][jtype]);

        const double tmpFactor = 1.0-sqrt(rsq)/rcut;
@@ -933,7 +934,6 @@ void PairMultiLucyRX::computeLocalDensity() 
          rho[j] += factor;

      }

    }

    }



    rho[i] = rho_i;

  }

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