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

Comparing trunk/OOPSE/libmdtools/ForceFields.hpp (file contents):
Revision 999 by chrisfen, Fri Jan 30 15:01:09 2004 UTC vs.
Revision 1187 by chrisfen, Sat May 22 18:16:18 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 );
83		virtual void doForces( int calcPot, int calcStress );
84
85		void setFortranForceLoop( doForceLoop_TD fsub ){

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