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

Comparing trunk/OOPSE/libmdtools/Thermo.cpp (file contents):
Revision 1113 by tim, Thu Apr 15 16:18:26 2004 UTC vs.
Revision 1118 by tim, Mon Apr 19 03:52:27 2004 UTC

#	Line 33 \| Line 33 \| double Thermo::getKinetic(){
33		double kinetic;
34		double amass;
35		double aVel[3], aJ[3], I[3][3];
36	<	int j, kl;
36	>	int i, j, k, kl;
37
38		double kinetic_global;
39		vector<StuntDouble *> integrableObjects = info->integrableObjects;
#	Line 53 \| Line 53 \| double Thermo::getKinetic(){
53		integrableObjects[kl]->getJ( aJ );
54		integrableObjects[kl]->getI( I );
55
56	<	for (j=0; j<3; j++)
57	<	kinetic += aJ[j]*aJ[j] / I[j][j];
58	<
56	>	if (integrableObjects[kl]->isLinear()) {
57	>	i = integrableObjects[kl]->linearAxis();
58	>	j = (i+1)%3;
59	>	k = (i+2)%3;
60	>	kinetic += aJ[j]aJ[j]/I[j][j] + aJ[k]aJ[k]/I[k][k];
61	>	} else {
62	>	for (j=0; j<3; j++)
63	>	kinetic += aJ[j]*aJ[j] / I[j][j];
64	>	}
65		}
66		}
67		#ifdef IS_MPI

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