git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1591 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2008-03-11 17:15:30 +00:00
parent 07c6376bcf
commit d0e374e4c3
27 changed files with 412 additions and 206 deletions
--- a/src/fix_nve.cpp
+++ b/src/fix_nve.cpp
@ -146,6 +146,9 @@ void FixNVE::initial_integrate_respa(int vflag, int ilevel, int flag)
  dtv = step_respa[ilevel];
  dtf = 0.5 * step_respa[ilevel] * force->ftm2v;

+  // innermost level - NVE update of v and x
+  // all other levels - NVE update of v
+
  if (ilevel == 0) initial_integrate(vflag);
  else final_integrate();
 }