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

Comparing trunk/src/integrators/Integrator.cpp (file contents):
Revision 993 by chrisfen, Thu Jun 22 15:21:01 2006 UTC vs.
Revision 1330 by skuang, Thu Mar 19 21:03:36 2009 UTC

#	Line 46 \| Line 46 \| namespace oopse {
46		Integrator::Integrator(SimInfo* info)
47		: info_(info), forceMan_(NULL) , needPotential(false), needStress(false),
48		needReset(false), velocitizer_(NULL), needVelocityScaling(false),
49	+	rnemd_(NULL), useRNEMD(false),
50		dumpWriter(NULL), statWriter(NULL), thermo(info),
51		currentSnapshot_(info->getSnapshotManager()->getCurrentSnapshot()) {
52
#	Line 95 \| Line 96 \| namespace oopse {
96		needReset = true;
97		resetTime = simParams->getResetTime();
98		}
99	+
100	+
101	+	if (simParams->haveUseRNEMD()) {
102	+	if (simParams->getUseRNEMD()) {
103	+	useRNEMD = simParams->getUseRNEMD();
104	+	if (simParams->haveRNEMD_swapTime()) {
105	+	RNEMD_swapTime = simParams->getRNEMD_swapTime();
106	+	}
107	+	}
108	+	}
109
110		// Create a default ForceManager: If the subclass wants to use
111		// a different ForceManager, use setForceManager
#	Line 119 \| Line 130 \| namespace oopse {
130		// Create a default a velocitizer: If the subclass wants to use
131		// a different velocitizer, use setVelocitizer
132		velocitizer_ = new Velocitizer(info);
133	+	// Create a default a RNEMD.
134	+	rnemd_ = new RNEMD(info);
135
136		}
137
138		Integrator::~Integrator(){
139		delete forceMan_;
140		delete velocitizer_;
141	+	delete rnemd_;
142
143		delete dumpWriter;
144		delete statWriter;

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