[ViewVC] Diff of: group/trunk/mdtools/headers/ForceFields.hpp

Comparing trunk/mdtools/headers/ForceFields.hpp (file contents):
Revision 151 by mmeineke, Mon Oct 21 22:02:53 2002 UTC vs.
Revision 215 by chuckv, Thu Dec 19 21:59:51 2002 UTC

#	Line 67 \| Line 67 \| class ForceFields{ (protected)
67		virtual void initializeTorsions( torsion_set* the_torsions ) = 0;
68
69		protected:
70	–
71	–	void ffError( char* errMsg ){
72	–
73	–	#ifdef IS_MPI
74	–	ffInterfaceExit( errMsg );
75	–	#else
76	–	fprintf( stderr, "%s\n", errMsg );
77	–	exit(0);
78	–	#endif
79	–	}
80	–
70
71		FILE *frcFile;
72		SimInfo* entry_plug;
#	Line 121 \| Line 110 \| class TraPPE_ExFF : public ForceFields{ (public)
110		void initializeTorsions( torsion_set* the_torsions );
111		};
112
113	+	class LJ_FF : public ForceFields{
114	+
115	+	public:
116	+	LJ_FF();
117	+	virtual ~LJ_FF();
118	+
119	+	void initializeAtoms( void );
120	+	void initializeBonds( bond_pair* the_bonds );
121	+	void initializeBends( bend_set* the_bends );
122	+	void initializeTorsions( torsion_set* the_torsions );
123	+	};
124	+
125		#endif

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