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root/OpenMD/trunk/src/utils/MoLocator.hpp

Comparing trunk/src/utils/MoLocator.hpp (file contents):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 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		#ifndef UTILS_MOLOCATOR_HPP
#	Line 51 | Line 52
52		#include "primitives/Molecule.hpp"
53		#include "math/SquareMatrix3.hpp"
54		#include "math/Vector3.hpp"
55	<	#include "UseTheForce/ForceField.hpp"
55	>	#include "brains/ForceField.hpp"
56		namespace OpenMD {
57		//convert lattice vector to rotation matrix
58		RealType getAtomMass(const std::string& at, ForceField* myFF);

Comparing trunk/src/utils/MoLocator.hpp (property svn:keywords):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC

#	Line 0 | Line 1
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