[ViewVC] Diff of: OpenMD/branches/development/src/nonbonded/SC.cpp

Comparing branches/development/src/nonbonded/SC.cpp (file contents):
Revision 1711 by gezelter, Sat May 19 02:58:35 2012 UTC vs.
Revision 1868 by gezelter, Tue Apr 30 15:56:54 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 54 \| Line 54 \| namespace OpenMD {
54		SC::SC() : name_("SC"), initialized_(false), forceField_(NULL),
55		scRcut_(0.0), np_(3000) {}
56
57	+	SC::~SC() {
58	+	initialized_ = false;
59	+
60	+	map<pair<AtomType, AtomType>, SCInteractionData>::iterator it;
61	+	for (it = MixingMap.begin(); it != MixingMap.end(); ++it) {
62	+	SCInteractionData mixer = (*it).second;
63	+	delete mixer.V;
64	+	delete mixer.phi;
65	+	}
66	+
67	+	MixingMap.clear();
68	+	SCMap.clear();
69	+	SClist.clear();
70	+	}
71	+
72		RealType SC::getM(AtomType* atomType1, AtomType* atomType2) {
73		SuttonChenAdapter sca1 = SuttonChenAdapter(atomType1);
74		SuttonChenAdapter sca2 = SuttonChenAdapter(atomType2);

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