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root/OpenMD/trunk/src/brains/MoleculeCreator.cpp
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Comparing trunk/src/brains/MoleculeCreator.cpp (file contents):
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC vs.
Revision 1908 by gezelter, Fri Jul 19 21:25:45 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.cpp
45   * @author tlin
46   * @date 11/04/2004
47 – * @time 13:44am
47   * @version 1.0
48   */
49  
# Line 66 | Line 65 | namespace OpenMD {
65                                              MoleculeStamp *molStamp,
66                                              int stampId, int globalIndex,
67                                              LocalIndexManager* localIndexMan) {
68 <    Molecule* mol = new Molecule(stampId, globalIndex, molStamp->getName());
68 >    Molecule* mol = new Molecule(stampId, globalIndex, molStamp->getName(),
69 >                                 molStamp->getRegion() );
70  
71      //create atoms
72      Atom* atom;

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