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root/OpenMD/branches/development/src/primitives/UreyBradleyBend.cpp

Comparing:
trunk/src/primitives/UreyBradleyBend.cpp (file contents), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/primitives/UreyBradleyBend.cpp (file contents), Revision 1850 by gezelter, Wed Feb 20 15:39:39 2013 UTC

#	Line 35 | Line 35
35		*
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).
38	>	* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
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 "primitives/UreyBradleyBend.hpp"
#	Line 51 | Line 52 | namespace OpenMD {
52		delete bond_;
53		}
54
55	<	void UreyBradleyBend::calcForce(RealType& angle) {
56	<	Bend::calcForce(angle);
57	<	bond_->calcForce();
58	<	atom2_->addParticlePot(bond_->getPotential());
55	>	void UreyBradleyBend::calcForce(RealType& angle, bool doParticlePot) {
56	>	Bend::calcForce(angle, doParticlePot);
57	>	bond_->calcForce(doParticlePot);
58	>	if (doParticlePot) {
59	>	atom2_->addParticlePot(bond_->getPotential());
60	>	}
61		}
62
63		} //end namespace OpenMD

Comparing:
trunk/src/primitives/UreyBradleyBend.cpp (property svn:keywords), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/primitives/UreyBradleyBend.cpp (property svn:keywords), Revision 1850 by gezelter, Wed Feb 20 15:39:39 2013 UTC

#	Line 0 | Line 1
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