From 966993d73381cdb86a5973270ba60e61ffdc3d1f Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Mon, 30 Mar 2015 10:51:58 +0200
Subject: [PATCH] use buffered edit mode when update entity positions
---
modules/mol/mm/src/simulation.cc | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/modules/mol/mm/src/simulation.cc b/modules/mol/mm/src/simulation.cc
index e6952ff1d..d338b52e2 100644
--- a/modules/mol/mm/src/simulation.cc
+++ b/modules/mol/mm/src/simulation.cc
@@ -378,7 +378,7 @@ void Simulation::UpdatePositions(bool enforce_periodic_box){
throw ost::Error("Num particles in topology and num atoms in entity are not consistent!");
}
geom::Vec3List positions = this->GetPositions(enforce_periodic_box, true);
- ost::mol::XCSEditor ed = ent_.EditXCS();
+ ost::mol::XCSEditor ed = ent_.EditXCS(ost::mol::BUFFERED_EDIT);
ost::mol::AtomHandleList atom_list = ent_.GetAtomList();
ost::mol::AtomHandleList::iterator a = atom_list.begin();
ost::mol::AtomHandleList::iterator ae = atom_list.end();
--
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