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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13342 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2015-03-31 17:40:07 +00:00
parent ef209425f6
commit 3782e4935a
1 changed files with 1 additions and 15 deletions
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16
src/RIGID/fix_rigid_small.cpp
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@ -892,20 +892,6 @@ void FixRigidSmall::final_integrate_respa(int ilevel, int iloop)
note: so just want to avoid that numeric probem?
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
atom to processor assignments have changed,
so acquire ghost bodies and setup atom2body
remap xcm of each rigid body back into periodic simulation box
done during pre_neighbor so will be after call to pbc()
and after fix_deform::pre_exchange() may have flipped box
use domain->remap() in case xcm is far away from box
due to 1st definition of rigid body or due to box flip
if don't do this, then atoms of a body which drifts far away
from a triclinic box will be remapped back into box
with huge displacements when the box tilt changes via set_x()
adjust image flag of body and image flags of all atoms in body
------------------------------------------------------------------------- */
void FixRigidSmall::pre_neighbor()
{
// acquire ghost bodies via forward comm
@ -2544,7 +2530,7 @@ void FixRigidSmall::grow_arrays(int nmax)
// check for regrow of vatom
// must be done whether per-atom virial is accumulated on this step or not
// b/c this is only time grow_array() may be called
// since vatom is calculated before and after atom migration
// need to regrow b/c vatom is calculated before and after atom migration
if (nmax > maxvatom) {
maxvatom = atom->nmax;