[ViewVC] Diff of: group/trunk/OOPSE-2.0/src/integrators/NVT.cpp

Comparing trunk/OOPSE-2.0/src/integrators/NVT.cpp (file contents):
Revision 1930 by gezelter, Wed Jan 12 22:41:40 2005 UTC vs.
Revision 1955 by tim, Mon Jan 17 16:58:32 2005 UTC

#	Line 46 \| Line 46 \| *NVT::NVT(SimInfo info) : VelocityVerletIntegrator(inf**
46
47		namespace oopse {
48
49	<	NVT::NVT(SimInfo* info) : VelocityVerletIntegrator(info), chiTolerance_ (1e-6) {
49	>	NVT::NVT(SimInfo* info) : VelocityVerletIntegrator(info), chiTolerance_ (1e-6), maxIterNum_(4) {
50
51		Globals* simParams = info_->getSimParams();
52
53	<	if (simParams->getUseInitXSstate()) {
53	>	if (!simParams->getUseInitXSstate()) {
54		Snapshot* currSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
55		currSnapshot->setChi(0.0);
56		currSnapshot->setIntegralOfChiDt(0.0);

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