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root/OpenMD/trunk/src/brains/MoleculeCreator.hpp
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Comparing trunk/src/brains/MoleculeCreator.hpp (file contents):
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 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).          
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   */
# Line 44 | Line 44
44   * @file MoleculeCreator.hpp
45   * @author tlin
46   * @date 11/04/2004
47 – * @time 13:51am
47   * @version 1.0
48   */
49  
# Line 80 | 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                                             LocalIndexManager* localIndexMan);

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