git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1264 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2007-12-18 16:42:57 +00:00
parent 6da2066d46
commit 75fefd8e37
2 changed files with 12 additions and 0 deletions
--- a/src/fix_langevin.cpp
+++ b/src/fix_langevin.cpp
@ -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]);
+  }
+}