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root/OpenMD/trunk/src/brains/MoleculeCreator.hpp
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Comparing trunk/src/brains/MoleculeCreator.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   /**
# Line 86 | Line 87 | namespace OpenMD {
87      virtual Inversion* createInversion(ForceField* ff, Molecule* mol,
88                                         InversionStamp* stamp);
89      virtual CutoffGroup* createCutoffGroup(Molecule* mol,
90 <                                           CutoffGroupStamp* stamp);
91 <    virtual CutoffGroup* createCutoffGroup(Molecule * mol, Atom* atom);
90 >                                           CutoffGroupStamp* stamp,
91 >                                           LocalIndexManager* localIndexMan);
92 >    virtual CutoffGroup* createCutoffGroup(Molecule * mol, Atom* atom,
93 >                                           LocalIndexManager* localIndexMan);
94      virtual void createConstraintPair(Molecule* mol);    
95      virtual void createConstraintElem(Molecule* mol);
96    };

Comparing trunk/src/brains/MoleculeCreator.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
1 + Author Id Revision Date

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