[ViewVC] Diff of: OpenMD/trunk/src/integrators/LDForceManager.hpp

Comparing trunk/src/integrators/LDForceManager.hpp (file contents):
Revision 981 by gezelter, Mon Jun 5 18:24:45 2006 UTC vs.
Revision 1237 by gezelter, Fri Apr 18 16:55:15 2008 UTC

#	Line 46 \| Line 46
46		#include "primitives/Molecule.hpp"
47		#include "math/SeqRandNumGen.hpp"
48		#include "hydrodynamics/Shape.hpp"
49	+	#include "integrators/Velocitizer.hpp"
50
51		namespace oopse {
52
#	Line 64 \| Line 65 \| namespace oopse {
65		public:
66		LDForceManager(SimInfo * info);
67
68	+	int getMaxIterationNumber() {
69	+	return maxIterNum_;
70	+	}
71	+
72	+	void setMaxIterationNumber(int maxIter) {
73	+	maxIterNum_ = maxIter;
74	+	}
75	+
76	+	RealType getForceTolerance() {
77	+	return forceTolerance_;
78	+	}
79	+
80	+	void setForceTolerance(RealType tol) {
81	+	forceTolerance_ = tol;
82	+	}
83	+
84	+	RealType getDt2() {
85	+	return dt2_;
86	+	}
87	+
88	+	void setDt2(RealType dt2) {
89	+	dt2_ = dt2;
90	+	}
91	+
92	+
93		protected:
94	<	virtual void postCalculation();
94	>	virtual void postCalculation(bool needStress);
95
96		private:
97		std::map<std::string, HydroProp*> parseFrictionFile(const std::string& filename);
#	Line 76 \| Line 102 \| namespace oopse {
102		RealType langevinBufferRadius_;
103		RealType frozenBufferRadius_;
104		bool sphericalBoundaryConditions_;
105	+	Globals* simParams;
106	+	Velocitizer* veloMunge;
107	+	// convergence parameters:
108	+	int maxIterNum_;
109	+	RealType forceTolerance_;
110	+	RealType dt2_;
111		};
112
113		} //end namespace oopse

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