[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/ForceFields.hpp

Comparing trunk/OOPSE/libmdtools/ForceFields.hpp (file contents):
Revision 500 by chuckv, Tue Apr 15 20:40:04 2003 UTC vs.
Revision 829 by gezelter, Tue Oct 28 16:03:37 2003 UTC

#	Line 5 \| Line 5
5		#define STR_DEFINE(t, s) t = MK_STR(s)
6
7
8	<	#include <cstdio>
9	<	#include <cstdlib>
8	>	#include <stdio.h>
9	>	#include <stdlib.h>
10
11		#include "Atom.hpp"
12		#include "SimInfo.hpp"
#	Line 97 \| Line 97 \| class TraPPE_ExFF : public ForceFields{
97		};
98
99
100	<	class TraPPE_ExFF : public ForceFields{
100	>	class DUFF : public ForceFields{
101
102		public:
103	<	TraPPE_ExFF();
104	<	virtual ~TraPPE_ExFF();
103	>	DUFF();
104	>	virtual ~DUFF();
105
106		void readParams();
107		void cleanMe( void );
#	Line 121 \| Line 121 \| class LJ_FF : public ForceFields{
121		void fastForward( char* stopText, char* searchOwner );
122		};
123
124	<	class LJ_FF : public ForceFields{
124	>	class LJFF : public ForceFields{
125
126		public:
127	<	LJ_FF();
128	<	virtual ~LJ_FF();
127	>	LJFF();
128	>	virtual ~LJFF();
129
130
131		void readParams();
#	Line 146 \| Line 146 \| class EAM_FF : public ForceFields{
146		void fastForward( char* stopText, char* searchOwner );
147
148		};
149	+
150		class EAM_FF : public ForceFields{
151
152		public:
#	Line 166 \| Line 167 \| class EAM_FF : public ForceFields{ (private)
167
168		void initForceField( int ljMixRule );
169
170	+	void calcRcut( void );
171		private:
172
173		void fastForward( char* stopText, char* searchOwner );
174	<
174	>
175	>	double eamRcut;
176		};
177
178		#endif

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