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root/OpenMD/trunk/src/parallel/ForceMatrixDecomposition.cpp
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Comparing branches/development/src/parallel/ForceMatrixDecomposition.cpp (file contents):
Revision 1723 by gezelter, Thu May 24 20:59:54 2012 UTC vs.
Revision 1736 by jmichalk, Tue Jun 5 17:51:31 2012 UTC

# Line 1183 | Line 1183 | namespace OpenMD {
1183      atomColData.force[atom2] -= *(idat.f1);
1184  
1185      if (storageLayout_ & DataStorage::dslFlucQForce) {              
1186 <      atomRowData.flucQFrc[atom1] += *(idat.dVdFQ1);
1187 <      atomColData.flucQFrc[atom2] += *(idat.dVdFQ2);
1186 >      atomRowData.flucQFrc[atom1] -= *(idat.dVdFQ1);
1187 >      atomColData.flucQFrc[atom2] -= *(idat.dVdFQ2);
1188      }
1189  
1190      if (storageLayout_ & DataStorage::dslElectricField) {              
# Line 1208 | Line 1208 | namespace OpenMD {
1208      }
1209      
1210      if (storageLayout_ & DataStorage::dslFlucQForce) {              
1211 <      snap_->atomData.flucQFrc[atom1] += *(idat.dVdFQ1);
1211 >      snap_->atomData.flucQFrc[atom1] -= *(idat.dVdFQ1);
1212        snap_->atomData.flucQFrc[atom2] -= *(idat.dVdFQ2);
1213      }
1214  

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