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

Comparing trunk/OOPSE/libmdtools/ForceFields.hpp (file contents):
Revision 1097 by gezelter, Mon Apr 12 20:32:20 2004 UTC vs.
Revision 1180 by chrisfen, Thu May 20 20:24:07 2004 UTC

#	Line 7 \| Line 7
7
8		#include <stdio.h>
9		#include <stdlib.h>
10	+	#include <math.h>
11
12		#include "Atom.hpp"
13		#include "SimInfo.hpp"
14	+	#include "StuntDouble.hpp"
15
16		#ifdef IS_MPI
17		#include "mpiForceField.h"
#	Line 73 \| Line 75 \| class ForceFields{ (public)
75		virtual void initializeTorsions( int nTorsions, Torsion** torsionArray,
76		torsion_set* the_torsions ) = 0;
77		virtual void initForceField( int ljMixRule ) = 0;
78	+	virtual void initRestraints();
79	+	virtual void dumpzAngle();
80
81		virtual void calcRcut( void );
82		virtual void setRcut( double LJrcut );
#	Line 95 \| Line 99 \| class ForceFields{ (public)
99		char* eof_test;
100		double bigSigma;
101
102	+	vector<StuntDouble*> myStunts;
103	+
104		};
105
106

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