[ViewVC] Diff of: OpenMD/branches/development/src/primitives/DirectionalAtom.cpp

Comparing:
trunk/src/primitives/DirectionalAtom.cpp (file contents), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/primitives/DirectionalAtom.cpp (file contents), Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 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		#include "primitives/DirectionalAtom.hpp"
#	Line 134 \| Line 135 \| namespace OpenMD {
135		ephi[1] = 0.0;
136		ephi[2] = 1.0;
137
138	<	etheta[0] = -sphi;
139	<	etheta[1] = cphi;
140	<	etheta[2] = 0.0;
138	>	//etheta[0] = -sphi;
139	>	//etheta[1] = cphi;
140	>	//etheta[2] = 0.0;
141
142	+	etheta[0] = cphi;
143	+	etheta[1] = sphi;
144	+	etheta[2] = 0.0;
145	+
146		epsi[0] = stheta * cphi;
147		epsi[1] = stheta * sphi;
148		epsi[2] = ctheta;

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