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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2330 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2009-01-05 22:26:08 +00:00
parent e1f72f6d3a
commit 0cc1d090f4
90 changed files with 1129 additions and 779 deletions
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8
src/respa.cpp
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@ -415,6 +415,8 @@ void Respa::recurse(int ilevel)
for (int iloop = 0; iloop < loop[ilevel]; iloop++) {
modify->initial_integrate_respa(vflag,ilevel,0);
if (modify->n_post_integrate_respa)
modify->post_integrate_respa(ilevel,iloop);
if (ilevel) recurse(ilevel-1);
@ -427,6 +429,9 @@ void Respa::recurse(int ilevel)
if (ilevel == nlevels-1) {
modify->initial_integrate_respa(vflag,ilevel,1);
if (modify->n_post_integrate_respa)
modify->post_integrate_respa(ilevel,iloop);
int nflag = neighbor->decide();
if (nflag) {
if (modify->n_pre_exchange) modify->pre_exchange();
@ -446,6 +451,7 @@ void Respa::recurse(int ilevel)
neighbor->build();
timer->stamp(TIME_NEIGHBOR);
}
} else if (ilevel == 0) {
timer->stamp();
comm->communicate();
@ -453,6 +459,8 @@ void Respa::recurse(int ilevel)
}
force_clear(newton[ilevel]);
if (modify->n_pre_force_respa)
modify->pre_force_respa(vflag,ilevel,iloop);
timer->stamp();
if (level_bond == ilevel && force->bond) {