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Comparing branches/development/src/primitives/Molecule.cpp (file contents):
Revision 1715 by gezelter, Tue May 22 21:55:31 2012 UTC vs.
Revision 1850 by gezelter, Wed Feb 20 15:39:39 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 56 | Line 56 | namespace OpenMD {
56  
57   namespace OpenMD {
58    Molecule::Molecule(int stampId, int globalIndex, const std::string& molName)
59 <    : stampId_(stampId), globalIndex_(globalIndex), moleculeName_(molName) {
59 >    : stampId_(stampId), globalIndex_(globalIndex), moleculeName_(molName),
60 >      constrainTotalCharge_(false) {
61    }
62    
63    Molecule::~Molecule() {

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