[ViewVC] Diff of: group/trunk/OOPSE-2.0/src/brains/Thermo.cpp

Comparing trunk/OOPSE-2.0/src/brains/Thermo.cpp (file contents):
Revision 2204 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 2235 by tim, Thu May 19 21:31:23 2005 UTC

#	Line 162 \| Line 162 \| namespace oopse {
162		return pressure;
163		}
164
165	+	double Thermo::getPressure(int direction) {
166	+
167	+	// Relies on the calculation of the full molecular pressure tensor
168	+
169	+
170	+	Mat3x3d tensor;
171	+	double pressure;
172	+
173	+	tensor = getPressureTensor();
174	+
175	+	pressure = OOPSEConstant::pressureConvert * tensor(direction, direction);
176	+
177	+	return pressure;
178	+	}
179	+
180	+
181	+
182		Mat3x3d Thermo::getPressureTensor() {
183		// returns pressure tensor in units amufs^-2Ang^-1
184		// routine derived via viral theorem description in:

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