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root/OpenMD/branches/development/src/brains/ForceManager.cpp
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Comparing branches/development/src/brains/ForceManager.cpp (file contents):
Revision 1787 by gezelter, Wed Aug 29 18:13:11 2012 UTC vs.
Revision 1808 by gezelter, Mon Oct 22 20:42:10 2012 UTC

# Line 44 | Line 44
44   * @file ForceManager.cpp
45   * @author tlin
46   * @date 11/09/2004
47 – * @time 10:39am
47   * @version 1.0
48   */
49  
# Line 908 | Line 907 | namespace OpenMD {
907        *(fDecomp_->getPairwisePotential());
908  
909      curSnapshot->setLongRangePotential(longRangePotential);
910 +
911 +    // collects single-atom information
912 +    fDecomp_->collectSelfData();
913 +
914 +    longRangePotential = *(fDecomp_->getEmbeddingPotential()) +
915 +      *(fDecomp_->getPairwisePotential());
916 +
917 +    curSnapshot->setLongRangePotential(longRangePotential);
918      
919      curSnapshot->setExcludedPotentials(*(fDecomp_->getExcludedSelfPotential()) +
920                                           *(fDecomp_->getExcludedPotential()));

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