Commit a5764abf authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1877 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 3f83ab0b

src/fix_heat.cpp

+1 −1
Original line number Diff line number Diff line
@@ -75,7 +75,7 @@ void FixHeat::end_of_step() 
  group->vcm(igroup,masstotal,vcm);

  double vcmsq = vcm[0]*vcm[0] + vcm[1]*vcm[1] + vcm[2]*vcm[2];

  double escale = (ke + heat - 0.5*vcmsq*masstotal)/(ke - 0.5*vcmsq*masstotal);

  if (escale < 0.0) error->all("Illegal fix heat attempt");

  if (escale < 0.0) error->all("Fix heat kinetic energy went negative");

  double r = sqrt(escale);



  vsub[0] = (r-1.0) * vcm[0];

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