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

Comparing trunk/OOPSE/libmdtools/ExtendedSystem.cpp (file contents):
Revision 470 by gezelter, Mon Apr 7 16:56:38 2003 UTC vs.
Revision 471 by gezelter, Mon Apr 7 20:51:59 2003 UTC

#	Line 40 \| Line 40 \| void ExtendedSystem::NoseHooverNVT( double dt, double
40		// qmass is set in the parameter file
41
42		zeta += dt * ( (ke_temp*2.0 - NkBT) / qmass );
43	+	std::cerr << "ke_temp = " << ke_temp << "\n";
44	+
45		zetaScale = zeta * dt;
46	+
47
48	+
49		// perform thermostat scaling on linear velocities and angular momentum
50		for(i = 0; i < nAtoms; i++){
51

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