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root/OpenMD/branches/development/src/constraints/ZconstraintForceManager.cpp

Comparing:
trunk/src/constraints/ZconstraintForceManager.cpp (file contents), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/constraints/ZconstraintForceManager.cpp (file contents), Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC

#	Line 36 | Line 36
36		* [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37		* [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38		* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	<	* [4]  Vardeman & Gezelter, in progress (2009).
39	>	* [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	>	* [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42
43		#include <cmath>
#	Line 45 | Line 46
46		#include "utils/simError.h"
47		#include "utils/PhysicalConstants.hpp"
48		#include "utils/StringUtils.hpp"
49	+	#ifdef IS_MPI
50	+	#include <mpi.h>
51	+	#endif
52	+
53		namespace OpenMD {
54		ZconstraintForceManager::ZconstraintForceManager(SimInfo* info): ForceManager(info), infiniteTime(1e31) {
55		currSnapshot_ = info_->getSnapshotManager()->getCurrentSnapshot();
#	Line 240 | Line 245 | namespace OpenMD {
245		currZconsTime_ = currSnapshot_->getTime();
246		}
247
248	<	void ZconstraintForceManager::calcForces(bool needPotential, bool needStress){
249	<	ForceManager::calcForces(needPotential, needStress);
248	>	void ZconstraintForceManager::calcForces(){
249	>	ForceManager::calcForces();
250
251		if (usingZconsGap_){
252		updateZPos();

Comparing:
trunk/src/constraints/ZconstraintForceManager.cpp (property svn:keywords), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/constraints/ZconstraintForceManager.cpp (property svn:keywords), Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC

#	Line 0 | Line 1
1	+	Author Id Revision Date

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