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

Comparing branches/development/src/integrators/Integrator.cpp (file contents):
Revision 1760 by gezelter, Thu Jun 21 19:26:46 2012 UTC vs.
Revision 1766 by gezelter, Thu Jul 5 17:08:25 2012 UTC

#	Line 43 \| Line 43
43		#include "brains/Snapshot.hpp"
44		#include "integrators/Integrator.hpp"
45		#include "integrators/DLM.hpp"
46	+	#include "flucq/FluctuatingChargeLangevin.hpp"
47		#include "flucq/FluctuatingChargeNVT.hpp"
48		#include "utils/simError.h"
49
#	Line 52 \| Line 53 \| namespace OpenMD {
53		needReset(false), velocitizer_(NULL), needVelocityScaling(false),
54		rnemd_(NULL), useRNEMD(false), rotAlgo_(NULL), flucQ_(NULL),
55		rattle_(NULL), dumpWriter(NULL), statWriter(NULL), thermo(info),
56	<	currentSnapshot_(info->getSnapshotManager()->getCurrentSnapshot()) {
56	>	snap(info->getSnapshotManager()->getCurrentSnapshot()) {
57
58		simParams = info->getSimParams();
59
#	Line 94 \| Line 95 \| namespace OpenMD {
95		}
96
97		if (!simParams->getUseInitalTime()) {
98	<	currentSnapshot_->setTime(0.0);
98	>	snap->setTime(0.0);
99		}
100
101		if (simParams->haveResetTime()) {
#	Line 142 \| Line 143 \| namespace OpenMD {
143
144		rotAlgo_ = new DLM();
145		rattle_ = new Rattle(info);
146	<	flucQ_ = new FluctuatingChargeNVT(info);
146	>	flucQ_ = new FluctuatingChargeLangevin(info);
147		flucQ_->setForceManager(forceMan_);
148		}
149

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