Commit c3c2587f authored by athomps's avatar athomps
Browse files

Added fix for problem with energy_full and shake 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15765 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 115d67c1

src/MC/fix_gcmc.cpp

+5 −0
Original line number Diff line number Diff line
@@ -2108,6 +2108,11 @@ double FixGCMC::energy_full() 
  int eflag = 1;

  int vflag = 0;



  // clear forces because they are used by fix shake 

  

  int nbytes = sizeof(double) * (atom->nlocal + atom->nghost);

  memset(&atom->f[0][0],0,3*nbytes);



  if (modify->n_pre_force) modify->pre_force(vflag);



  if (force->pair) force->pair->compute(eflag,vflag);

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