From ebebc70142b9d20f30a2f3a86b3b2bbb48869598 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 7 Feb 2012 23:27:34 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7723 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/change_box.cpp | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/src/change_box.cpp b/src/change_box.cpp index 3be6926389..da223074f1 100644 --- a/src/change_box.cpp +++ b/src/change_box.cpp @@ -200,10 +200,13 @@ void ChangeBox::command(int narg, char **arg) // perform sequence of operations // first insure atoms are in current box & update box via shrink-wrap - // then save current box state so can remap atoms from it + // no exchange() since doesn't matter if atoms are assigned to correct procs + // save current box state so can remap atoms from it, if requested + if (domain->triclinic) domain->x2lamda(atom->nlocal); domain->pbc(); domain->reset_box(); + if (domain->triclinic) domain->lamda2x(atom->nlocal); save_box_state(); for (int i = 0; i < nops; i++) {