[ViewVC] Diff of: OpenMD/branches/development/src/restraints/ThermoIntegrationForceManager.cpp

Comparing branches/development/src/restraints/ThermoIntegrationForceManager.cpp (file contents):
Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC vs.
Revision 1709 by gezelter, Tue May 15 13:04:08 2012 UTC

#	Line 36 \| Line 36
36		* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37		* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38		* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	<	* [4] Vardeman & Gezelter, in progress (2009).
39	>	* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
40	>	* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42
43
#	Line 133 \| Line 134 \| namespace OpenMD {
134		curSnapshot->statData[Stats::LONG_RANGE_POTENTIAL] = lrPot_;
135
136		// scale the pressure tensor
137	<	tempTau = curSnapshot->statData.getTau();
137	>	tempTau = curSnapshot->getTau();
138		tempTau *= factor_;
139	<	curSnapshot->statData.setTau(tempTau);
139	>	curSnapshot->setTau(tempTau);
140
141		// now, on to the applied restraining potentials (if needed):
142		RealType restPot_local = 0.0;

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