Commit 67fced37 authored by Anders Hafreager's avatar Anders Hafreager
Browse files

Setting molecule COM to 0 after moving atoms

parent 2f32fb7f

src/MC/fix_gcmc.cpp

+3 −0
Original line number Diff line number Diff line
@@ -595,6 +595,9 @@ void FixGCMC::init() 
      onemols[imol]->x[i][1] -= onemols[imol]->com[1];

      onemols[imol]->x[i][2] -= onemols[imol]->com[2];

    }

    onemols[imol]->com[0] = 0;

    onemols[imol]->com[1] = 0;

    onemols[imol]->com[2] = 0;



  } else gas_mass = atom->mass[ngcmc_type];

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