[ViewVC] Diff of: OpenMD/branches/development/src/parallel/ForceMatrixDecomposition.cpp

Comparing branches/development/src/parallel/ForceMatrixDecomposition.cpp (file contents):
Revision 1803 by gezelter, Wed Oct 3 14:20:07 2012 UTC vs.
Revision 1825 by gezelter, Wed Jan 9 19:27:52 2013 UTC

#	Line 1186 \| Line 1186 \| namespace OpenMD {
1186		idat.A1 = &(snap_->atomData.aMat[atom1]);
1187		idat.A2 = &(snap_->atomData.aMat[atom2]);
1188		}
1189	+
1190	+	RealType ct = dot(idat.A1->getColumn(2), idat.A2->getColumn(2));
1191
1192		if (storageLayout_ & DataStorage::dslTorque) {
1193		idat.t1 = &(snap_->atomData.torque[atom1]);
#	Line 1306 \| Line 1308 \| namespace OpenMD {
1308		#endif
1309
1310		RealType rList_ = (largestRcut_ + skinThickness_);
1309	–	RealType rl2 = rList_ * rList_;
1311		Snapshot* snap_ = sman_->getCurrentSnapshot();
1312		Mat3x3d Hmat = snap_->getHmat();
1313		Vector3d Hx = Hmat.getColumn(0);

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