[ViewVC] Diff of: OpenMD/branches/development/src/nonbonded/InteractionManager.hpp

Comparing branches/development/src/nonbonded/InteractionManager.hpp (file contents):
Revision 1505 by gezelter, Sun Oct 3 22:18:59 2010 UTC vs.
Revision 1528 by gezelter, Fri Dec 17 20:11:05 2010 UTC

#	Line 67 \| Line 67 \| namespace OpenMD {
67		static InteractionManager* Instance();
68		static void setForceField(ForceField *ff) {forceField_ = ff;};
69
70	+	static void setCutoffRadius(RealType rcut);
71	+	static void setSwitchingRadius(RealType rsw);
72	+	static void useShiftedForce();
73	+	static void useShiftedPot();
74
71	–
75		// Fortran support routines
76
77		static void doPrePair(int atid1, int atid2, RealType rij, RealType rho_i_at_j, RealType *rho_j_at_i);
#	Line 77 \| Line 80 \| namespace OpenMD {
80		static void doSkipCorrection(int atid1, int atid2, RealType d, RealType r, RealType skippedCharge1, RealType skippedCharge2, RealType sw, RealType electroMult, RealType pot, RealType vpair, RealType f1, RealType eFrame1, RealType eFrame2, RealType t1, RealType *t2);
81		static void doSelfCorrection(int atid, RealType eFrame, RealType skippedCharge, RealType pot, RealType *t);
82		static RealType getSuggestedCutoffRadius(int *atid1);
83	+	static RealType getSuggestedCutoffRadius(AtomType *atype);
84
85		private:
86		virtual ~InteractionManager() { }
#	Line 104 \| Line 108 \| namespace OpenMD {
108		* natural data structures are a map between the pair, and a set
109		* of non-bonded interactions.
110		*/
111	<	static map<pair<AtomType, AtomType>, set<NonBondedInteraction*> > interactions_;
108	<
111	>	static map<pair<AtomType, AtomType>, set<NonBondedInteraction*> > interactions_;
112		};
113		}
114		#endif

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