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

Comparing trunk/mdtools/headers/ForceFields.hpp (file contents):
Revision 117 by mmeineke, Tue Sep 24 22:10:55 2002 UTC vs.
Revision 225 by mmeineke, Wed Jan 8 21:54:20 2003 UTC

#	Line 7 \| Line 7
7		#include "Atom.hpp"
8		#include "SimInfo.hpp"
9
10	+	#ifdef IS_MPI
11	+	#include "mpiForceField.h"
12	+	#endif
13	+
14		class bond_pair{
15		public:
16		bond_pair(){}
#	Line 66 \| Line 70 \| class ForceFields{ (protected)
70
71		FILE *frcFile;
72		SimInfo* entry_plug;
73	+
74	+	int lineNum;
75	+	char readLine[500];
76	+	char* eof_test;
77
78		};
79
#	Line 106 \| Line 114 \| class TraPPE_ExFF : public ForceFields{ (public)
114		void initializeTorsions( torsion_set* the_torsions );
115		};
116
117	+	class LJ_FF : public ForceFields{
118	+
119	+	public:
120	+	LJ_FF();
121	+	virtual ~LJ_FF();
122	+
123	+	void initializeAtoms( void );
124	+	void initializeBonds( bond_pair* the_bonds );
125	+	void initializeBends( bend_set* the_bends );
126	+	void initializeTorsions( torsion_set* the_torsions );
127	+
128	+	private:
129	+
130	+	void fastForward( char* stopText, char* searchOwner );
131	+
132	+	};
133	+
134		#endif

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