[ViewVC] Diff of: OpenMD/branches/devel_omp/src/brains/ForceManager.hpp

Comparing branches/development/src/brains/ForceManager.hpp (file contents):
Revision 1469 by gezelter, Mon Jul 19 14:07:59 2010 UTC vs.
Revision 1503 by gezelter, Sat Oct 2 19:54:41 2010 UTC

#	Line 53 \| Line 53
53		#include "brains/SimInfo.hpp"
54		#include "primitives/Molecule.hpp"
55		#include "nonbonded/LJ.hpp"
56	+	#include "nonbonded/GB.hpp"
57	+	#include "nonbonded/Sticky.hpp"
58	+	#include "nonbonded/EAM.hpp"
59	+	#include "nonbonded/SC.hpp"
60	+	#include "nonbonded/Morse.hpp"
61	+	#include "nonbonded/Electrostatic.hpp"
62
63		namespace OpenMD {
64		/**
#	Line 76 \| Line 82 \| namespace OpenMD {
82		// public virtual functions should be avoided
83		/*@todo needs refactoring /
84		virtual void calcForces();
85	<	virtual void init();
85	>	virtual void init() {};
86
87		protected:
88
#	Line 86 \| Line 92 \| namespace OpenMD {
92		virtual void postCalculation();
93
94		SimInfo * info_;
89	–	LJ* lj_;
95		std::map<Bend*, BendDataSet> bendDataSets;
96		std::map<Torsion*, TorsionDataSet> torsionDataSets;
97		std::map<Inversion*, InversionDataSet> inversionDataSets;
98		Mat3x3d tau;
99
100		bool NBforcesInitialized_;
101	+	LJ* lj_;
102	+	GB* gb_;
103	+	Sticky* sticky_;
104	+	EAM* eam_;
105	+	SC* sc_;
106	+	Morse* morse_;
107	+	Electrostatic* electrostatic_;
108
109		};
110

-–
+Removed lines
-+
+Added lines
-<
+Changed lines
->
+Changed lines