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root/OpenMD/trunk/src/primitives/Molecule.cpp
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Comparing trunk/src/primitives/Molecule.cpp (file contents):
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC vs.
Revision 1908 by gezelter, Fri Jul 19 21:25:45 2013 UTC

# Line 55 | Line 55 | namespace OpenMD {
55   #include "utils/simError.h"
56  
57   namespace OpenMD {
58 <  Molecule::Molecule(int stampId, int globalIndex, const std::string& molName)
59 <    : stampId_(stampId), globalIndex_(globalIndex), moleculeName_(molName),
60 <      constrainTotalCharge_(false) {
58 >  Molecule::Molecule(int stampId, int globalIndex, const std::string& molName,
59 >                     int region) : stampId_(stampId),
60 >                                   globalIndex_(globalIndex),
61 >                                   moleculeName_(molName),
62 >                                   region_(region),
63 >                                   constrainTotalCharge_(false) {
64    }
65    
66    Molecule::~Molecule() {

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