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

Comparing:
branches/mmeineke/mdtools/headers/Atom.hpp (file contents), Revision 10 by mmeineke, Tue Jul 9 18:40:59 2002 UTC vs.
trunk/mdtools/headers/Atom.hpp (file contents), Revision 117 by mmeineke, Tue Sep 24 22:10:55 2002 UTC

#	Line 12 \| Line 12 \| class Atom{ (public)
12		is_VDW = 0;
13		is_LJ = 0;
14		}
15	<	~Atom() {}
15	>	virtual ~Atom() {}
16
17		double getX() const {return c_x;}
18		double getY() const {return c_y;}
#	Line 102 \| Line 102 \| class GeneralAtom : public Atom{ (public)
102
103		public:
104		GeneralAtom(){}
105	<	~GeneralAtom(){}
105	>	virtual ~GeneralAtom(){}
106
107		int isDirectional( void ){ return 0; }
108		void zeroForces() {
#	Line 114 \| Line 114 \| class DirectionalAtom : public Atom { (public)
114
115		public:
116		DirectionalAtom() { ssdIdentity = 0; }
117	<	~DirectionalAtom() {}
117	>	virtual ~DirectionalAtom() {}
118
119		int isDirectional(void) { return 1; }
120
#	Line 160 \| Line 160 \| class DirectionalAtom : public Atom { (public)
160		double getAzy( void ) { return Azy; }
161		double getAzz( void ) { return Azz; }
162
163	+	void getA( double the_A[3][3] ); // get the full rotation matrix
164	+
165		double getSUx( void ) { return sux; }
166		double getSUy( void ) { return suy; }
167		double getSUz( void ) { return suz; }

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