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

Comparing trunk/src/integrators/Integrator.hpp (file contents):
Revision 1329 by gezelter, Sat Mar 14 01:23:53 2009 UTC vs.
Revision 1368 by skuang, Mon Oct 19 13:39:04 2009 UTC

#	Line 54 \| Line 54
54		#include "restraints/ThermoIntegrationForceManager.hpp"
55		#include "io/DumpWriter.hpp"
56		#include "io/StatWriter.hpp"
57	–	#include "io/RestWriter.hpp"
57		#include "integrators/Velocitizer.hpp"
58		#include "integrators/RNEMD.hpp"
59
#	Line 81 \| Line 80 \| namespace oopse {
80		}
81
82		void setForceManager(ForceManager* forceMan) {
83	+
84		if (forceMan_ != forceMan && forceMan_ != NULL) {
85		delete forceMan_;
86		}
#	Line 88 \| Line 88 \| namespace oopse {
88		}
89
90		void setVelocitizer(Velocitizer* velocitizer) {
91	<	if (velocitizer_ != velocitizer && velocitizer_ != NULL) {
91	>	if (velocitizer_ != velocitizer && velocitizer_ != NULL) {
92		delete velocitizer_;
93		}
94	<	velocitizer_ = velocitizer;
94	>	velocitizer_ = velocitizer;
95		}
96
97		void setRNEMD(RNEMD* rnemd) {
98		if (rnemd_ != rnemd && rnemd_ != NULL) {
99		delete rnemd_;
100		}
101	<	rnemd_ = rnemd;
101	>	rnemd_ = rnemd;
102		}
103	<
103	>
104		protected:
105
106		Integrator(SimInfo* info);
#	Line 128 \| Line 128 \| namespace oopse {
128
129		DumpWriter* dumpWriter;
130		StatWriter* statWriter;
131	–	RestWriter* restWriter;
131		Thermo thermo;
132
133		RealType runTime;
#	Line 136 \| Line 135 \| namespace oopse {
135		RealType statusTime;
136		RealType thermalTime;
137		RealType resetTime;
138	<	RealType RNEMD_swapTime;
138	>	RealType RNEMD_exchangeTime;
139		RealType dt;
140
141		Snapshot* currentSnapshot_; //During the integration, the address of currentSnapshot Will not change

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