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root/OpenMD/branches/development/src/brains/SimInfo.cpp
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Comparing branches/development/src/brains/SimInfo.cpp (file contents):
Revision 1503 by gezelter, Sat Oct 2 19:54:41 2010 UTC vs.
Revision 1505 by gezelter, Sun Oct 3 22:18:59 2010 UTC

# Line 761 | Line 761 | namespace OpenMD {
761      useSF = 0;
762      useSP = 0;
763      useBoxDipole = 0;
764 –
764  
765      if (simParams_->haveElectrostaticSummationMethod()) {
766        std::string myMethod = simParams_->getElectrostaticSummationMethod();
# Line 862 | Line 861 | namespace OpenMD {
861      MPI_Allreduce(&temp, &useAtomicVirial_, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD);
862  
863   #endif
865 –
864      fInfo_.SIM_uses_PBC = usePBC;    
865      fInfo_.SIM_uses_DirectionalAtoms = useDirectionalAtom;
866      fInfo_.SIM_uses_LennardJones = useLennardJones;
# Line 1472 | Line 1470 | namespace OpenMD {
1470  
1471  
1472         [  Ixx -Ixy  -Ixz ]
1473 <  J =| -Iyx  Iyy  -Iyz |
1473 >    J =| -Iyx  Iyy  -Iyz |
1474         [ -Izx -Iyz   Izz ]
1475      */
1476  

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