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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 1953 by gezelter, Thu Dec 5 18:19:26 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 79 | Line 79 | namespace OpenMD {
79      virtual RigidBody* createRigidBody(MoleculeStamp *molStamp, Molecule* mol,
80                                         RigidBodyStamp* rbStamp,  
81                                         LocalIndexManager* localIndexMan);
82 <    virtual Bond* createBond(ForceField* ff, Molecule* mol, BondStamp* stamp);
83 <    virtual Bend* createBend(ForceField* ff, Molecule* mol, BendStamp* stamp);
82 >    virtual Bond* createBond(ForceField* ff, Molecule* mol, BondStamp* stamp,
83 >                             LocalIndexManager* localIndexMan);
84 >    virtual Bend* createBend(ForceField* ff, Molecule* mol, BendStamp* stamp,
85 >                             LocalIndexManager* localIndexMan);
86      virtual Torsion* createTorsion(ForceField* ff, Molecule* mol,
87 <                                   TorsionStamp* stamp);
87 >                                   TorsionStamp* stamp,
88 >                                   LocalIndexManager* localIndexMan);
89      virtual Inversion* createInversion(ForceField* ff, Molecule* mol,
90 <                                       InversionStamp* stamp);
90 >                                       InversionStamp* stamp,
91 >                                       LocalIndexManager* localIndexMan);
92      virtual CutoffGroup* createCutoffGroup(Molecule* mol,
93 <                                           CutoffGroupStamp* stamp);
94 <    virtual CutoffGroup* createCutoffGroup(Molecule * mol, Atom* atom);
93 >                                           CutoffGroupStamp* stamp,
94 >                                           LocalIndexManager* localIndexMan);
95 >    virtual CutoffGroup* createCutoffGroup(Molecule * mol, Atom* atom,
96 >                                           LocalIndexManager* localIndexMan);
97      virtual void createConstraintPair(Molecule* mol);    
98      virtual void createConstraintElem(Molecule* mol);
99    };

Comparing trunk/src/brains/MoleculeCreator.hpp (property svn:keywords):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1953 by gezelter, Thu Dec 5 18:19:26 2013 UTC

# Line 0 | Line 1
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