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root/OpenMD/branches/development/src/parallel/ForceMatrixDecomposition.cpp
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Comparing branches/development/src/parallel/ForceMatrixDecomposition.cpp (file contents):
Revision 1849 by gezelter, Wed Feb 20 13:52:51 2013 UTC vs.
Revision 1855 by gezelter, Tue Apr 2 18:31:51 2013 UTC

# Line 35 | Line 35
35   *                                                                      
36   * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
37   * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
38 < * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
38 > * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
39   * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40   * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
# Line 1205 | Line 1205 | namespace OpenMD {
1205        idat.A1 = &(snap_->atomData.aMat[atom1]);
1206        idat.A2 = &(snap_->atomData.aMat[atom2]);
1207      }
1208 –
1209 –    RealType ct = dot(idat.A1->getColumn(2), idat.A2->getColumn(2));
1208  
1209      if (storageLayout_ & DataStorage::dslTorque) {
1210        idat.t1 = &(snap_->atomData.torque[atom1]);

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