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root/OpenMD/trunk/src/brains/MoleculeCreator.hpp

Comparing trunk/src/brains/MoleculeCreator.hpp (file contents):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 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		/**
44		* @file MoleculeCreator.hpp
45		* @author tlin
46		* @date 11/04/2004
46	–	* @time 13:51am
47		* @version 1.0
48		*/
49
#	Line 86 | Line 86 | namespace OpenMD {
86		virtual Inversion* createInversion(ForceField* ff, Molecule* mol,
87		InversionStamp* stamp);
88		virtual CutoffGroup* createCutoffGroup(Molecule* mol,
89	<	CutoffGroupStamp* stamp);
90	<	virtual CutoffGroup* createCutoffGroup(Molecule * mol, Atom* atom);
89	>	CutoffGroupStamp* stamp,
90	>	LocalIndexManager* localIndexMan);
91	>	virtual CutoffGroup* createCutoffGroup(Molecule * mol, Atom* atom,
92	>	LocalIndexManager* localIndexMan);
93		virtual void createConstraintPair(Molecule* mol);
94		virtual void createConstraintElem(Molecule* mol);
95		};

Comparing trunk/src/brains/MoleculeCreator.hpp (property svn:keywords):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC

#	Line 0 | Line 1
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