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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3677 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-01-14 00:14:19 +00:00
parent 3f62cccb13
commit f78f394d01
5 changed files with 89 additions and 42 deletions
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4
src/respa.cpp
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@ -316,12 +316,14 @@ void Respa::setup()
// acquire ghosts
// build neighbor lists
atom->setup();
if (triclinic) domain->x2lamda(atom->nlocal);
domain->pbc();
domain->reset_box();
comm->setup();
if (neighbor->style) neighbor->setup_bins();
comm->exchange();
if (atom->sortfreq > 0) atom->sort();
comm->borders();
if (triclinic) domain->lamda2x(atom->nlocal+atom->nghost);
neighbor->build();
@ -503,6 +505,8 @@ void Respa::recurse(int ilevel)
}
timer->stamp();
comm->exchange();
if (atom->sortfreq > 0 &&
update->ntimestep >= atom->nextsort) atom->sort();
comm->borders();
if (triclinic) domain->lamda2x(atom->nlocal+atom->nghost);
timer->stamp(TIME_COMM);