git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11277 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2014-01-21 15:11:12 +00:00
parent 03b8ad7cdd
commit 8481e06c75

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@ -516,8 +516,6 @@ void Respa::recurse(int ilevel)
if (modify->n_post_integrate_respa)
modify->post_integrate_respa(ilevel,iloop);
if (ilevel) recurse(ilevel-1);
// at outermost level, check on rebuilding neighbor list
// at innermost level, communicate
// at middle levels, do nothing
@ -555,6 +553,14 @@ void Respa::recurse(int ilevel)
timer->stamp(TIME_COMM);
}
// rRESPA recursion thru all levels
// this used to be before neigh list build,
// which prevented per-atom energy/stress being tallied correctly
// b/c atoms migrated to new procs between short/long force calls
// now they migrate at very start of rRESPA timestep, before all forces
if (ilevel) recurse(ilevel-1);
// force computations
// important that ordering is same as Verlet
// so that any order dependencies are the same