[ViewVC] Diff of: OpenMD/trunk/src/integrators/NPTxyz.cpp

Comparing trunk/src/integrators/NPTxyz.cpp (file contents):
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC

#	Line 35 \| Line 35
35		*
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).
38	>	* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
39		* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
40		* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
#	Line 112 \| Line 112 \| namespace OpenMD {
112		int i, j;
113		Mat3x3d scaleMat;
114		RealType scaleFactor;
115	<	RealType bigScale, smallScale, offDiagMax;
115	>	RealType bigScale, smallScale;
116		Mat3x3d hm;
117		Mat3x3d hmnew;
118
#	Line 123 \| Line 123 \| namespace OpenMD {
123
124		bigScale = 1.0;
125		smallScale = 1.0;
126	–	offDiagMax = 0.0;
126
127		for(i=0; i<3; i++){
128		for(j=0; j<3; j++){

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