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

Comparing trunk/OOPSE/libmdtools/Atom.hpp (file contents):
Revision 1118 by tim, Mon Apr 19 03:52:27 2004 UTC vs.
Revision 1452 by tim, Mon Aug 23 15:11:36 2004 UTC

#	Line 24 \| Line 24 \| class Atom : public StuntDouble { (public)
24		void setVel( double theV[3] );
25
26		void getFrc( double theF[3] );
27	+	void setFrc( double theF[3] );
28		void addFrc( double theF[3] );
29
30		virtual void zeroForces();
#	Line 52 \| Line 53 \| class Atom : public StuntDouble { (public)
53		int hasCharge(void) {return has_charge;}
54
55
56	<	virtual void accept(BaseVisitor* v);
56	>	virtual void accept(BaseVisitor* v) {v->visit(this);}
57
58		protected:
59
#	Line 65 \| Line 66 \| class Atom : public StuntDouble { (public)
66		double* Amat; // the rotation matrix
67		double* mu; // the array of dipole moments
68		double* ul; // the lab frame unit directional vector
69	+	double* quat; // the quaternion array
70
71	+	double zAngle; // the rotation about the z-axis ( body-fixed )
72	+
73		double c_mass; /* the mass of the atom in amu */
74
75		int index; /* set the atom's index */

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