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root/group/branches/new_design/OOPSE-3.0/src/brains/Thermo.cpp
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Comparing branches/new_design/OOPSE-3.0/src/brains/Thermo.cpp (file contents):
Revision 1883 by tim, Mon Dec 13 22:30:27 2004 UTC vs.
Revision 1901 by tim, Tue Jan 4 22:18:36 2005 UTC

# Line 71 | Line 71 | double Thermo::getPotential() {
71   double Thermo::getPotential() {
72      double potential = 0.0;
73      Snapshot* curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
74 <    double potential_local = curSnapshot->statData[Stats::LONG_RANGE_POTENTIAL];
74 >    double potential_local = curSnapshot->statData[Stats::LONG_RANGE_POTENTIAL] +
75 >                                             curSnapshot->statData[Stats::SHORT_RANGE_POTENTIAL] ;
76  
76 –    SimInfo::MoleculeIterator i;
77 –    Molecule* mol;    
78 –    for (mol = info_->beginMolecule(i); mol != NULL; mol = info_->nextMolecule(i)) {
79 –        potential_local += mol->getPotential();
80 –    }
81 –
77      // Get total potential for entire system from MPI.
78  
79   #ifdef IS_MPI

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