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root/OpenMD/branches/devel_omp/src/brains/ForceManager.hpp

Comparing:
trunk/src/brains/ForceManager.hpp (file contents), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/brains/ForceManager.hpp (file contents), Revision 1544 by gezelter, Fri Mar 18 19:31:52 2011 UTC

#	Line 52 | Line 52
52
53		#include "brains/SimInfo.hpp"
54		#include "primitives/Molecule.hpp"
55	+	#include "nonbonded/InteractionManager.hpp"
56	+	#include "parallel/Decomposition.hpp"
57	+
58		namespace OpenMD {
59		/**
60		* @class ForceManager ForceManager.hpp "brains/ForceManager.hpp"
#	Line 67 | Line 70 | namespace OpenMD {
70		class ForceManager {
71
72		public:
73	<	ForceManager(SimInfo * info) : info_(info) {}
74	<
73	>
74	>	ForceManager(SimInfo * info);
75		virtual ~ForceManager() {}
76
77		// public virtual functions should be avoided
78		/**@todo needs refactoring */
79	<	virtual void calcForces(bool needPotential, bool needStress);
79	>	virtual void calcForces();
80	>	virtual void init() {};
81
78	–	virtual void init() {}
82		protected:
83
84	<	virtual void preCalculation();
82	<
84	>	virtual void preCalculation();
85		virtual void calcShortRangeInteraction();
86	<
87	<	virtual void calcLongRangeInteraction(bool needPotential, bool needStress);
86	<
87	<	virtual void postCalculation(bool needStress);
86	>	virtual void calcLongRangeInteraction();
87	>	virtual void postCalculation();
88
89		SimInfo * info_;
90	–
90		std::map<Bend*, BendDataSet> bendDataSets;
91		std::map<Torsion*, TorsionDataSet> torsionDataSets;
92		std::map<Inversion*, InversionDataSet> inversionDataSets;
93		Mat3x3d tau;
94	+
95	+	bool NBforcesInitialized_;
96	+	InteractionManager* nbiMan_;
97	+	Decomposition* decomp_;
98
99		};
100

Comparing:
trunk/src/brains/ForceManager.hpp (property svn:keywords), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/brains/ForceManager.hpp (property svn:keywords), Revision 1544 by gezelter, Fri Mar 18 19:31:52 2011 UTC

#	Line 0 | Line 1
1	+	Author Id Revision Date

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