Commit 75fefd8e authored by sjplimp's avatar sjplimp
Browse files

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1264 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 6da2066d
Loading
Loading
Loading
Loading
+11 −0
Original line number Diff line number Diff line
@@ -197,3 +197,14 @@ void FixLangevin::reset_target(double t_new)
{
  t_start = t_stop = t_new;
}

/* ---------------------------------------------------------------------- */

void FixLangevin::reset_dt()
{
  for (int i = 1; i <= atom->ntypes; i++) {
    gfactor2[i] = sqrt(atom->mass[i]) * 
      sqrt(24.0*force->boltz/t_period/update->dt/force->mvv2e) / force->ftm2v;
    gfactor2[i] *= 1.0/sqrt(ratio[i]);
  }
}
+1 −0
Original line number Diff line number Diff line
@@ -28,6 +28,7 @@ class FixLangevin : public Fix {
  void post_force(int);
  void post_force_respa(int, int, int);
  void reset_target(double);
  void reset_dt();

 private:
  double t_start,t_stop,t_period;