[ViewVC] Diff of: OpenMD/branches/development/src/integrators/VelocityVerletIntegrator.cpp

Comparing branches/development/src/integrators/VelocityVerletIntegrator.cpp (file contents):
Revision 1715 by gezelter, Tue May 22 21:55:31 2012 UTC vs.
Revision 1723 by gezelter, Thu May 24 20:59:54 2012 UTC

#	Line 215 \| Line 215 \| namespace OpenMD {
215
216		void VelocityVerletIntegrator::calcForce() {
217		forceMan_->calcForces();
218	+	flucQ_->applyConstraints();
219		}
220
221		DumpWriter* VelocityVerletIntegrator::createDumpWriter() {
#	Line 257 \| Line 258 \| namespace OpenMD {
258		mask.set(Stats::BOX_DIPOLE_Y);
259		mask.set(Stats::BOX_DIPOLE_Z);
260		}
261	+
262	+	if (simParams->getPrintHeatFlux()) {
263	+	mask.set(Stats::HEATFLUX_X);
264	+	mask.set(Stats::HEATFLUX_Y);
265	+	mask.set(Stats::HEATFLUX_Z);
266	+	}
267
268		if (simParams->haveTaggedAtomPair() && simParams->havePrintTaggedPairDistance()) {
269		if (simParams->getPrintTaggedPairDistance()) {

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