[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/DirectionalAtom.cpp

Comparing trunk/OOPSE/libmdtools/DirectionalAtom.cpp (file contents):
Revision 378 by mmeineke, Fri Mar 21 17:42:12 2003 UTC vs.
Revision 597 by mmeineke, Mon Jul 14 21:28:54 2003 UTC

#	Line 2 \| Line 2 \| *double Atom::pos; // the position array**
2
3		#include "Atom.hpp"
4
5	–	double* Atom::pos; // the position array
6	–	double* Atom::vel; // the velocity array
7	–	double* Atom::frc; // the forc array
8	–	double* Atom::trq; // the torque vector ( space fixed )
9	–	double* Atom::Amat; // the rotation matrix
10	–	double* Atom::mu; // the array of dipole moments
11	–	double* Atom::ul; // the lab frame unit directional vector
5
6	+
7		void DirectionalAtom::setA( double the_A[3][3] ){
8
9		Amat[Axx] = the_A[0][0]; Amat[Axy] = the_A[0][1]; Amat[Axz] = the_A[0][2];
#	Line 66 \| Line 60 \| void DirectionalAtom::getA( double the_A[3][3] ){
60		the_A[2][2] = Amat[Azz];
61		}
62
63	+	void DirectionalAtom::printAmatIndex( void ){
64
65	+	std::cerr << "Atom[" << index << "] index =>\n"
66	+	<< "[ " << Axx << ", " << Axy << ", " << Axz << " ]\n"
67	+	<< "[ " << Ayx << ", " << Ayy << ", " << Ayz << " ]\n"
68	+	<< "[ " << Azx << ", " << Azy << ", " << Azz << " ]\n";
69	+	}
70	+
71	+
72		void DirectionalAtom::getU( double the_u[3] ){
73
74		the_u[0] = sux;

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