ViewVC Help

View File | Revision Log | Show Annotations | View Changeset | Root Listing

root/OpenMD/branches/development/src/primitives/Atom.cpp

Comparing:
trunk/src/primitives/Atom.cpp (file contents), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/primitives/Atom.cpp (file contents), Revision 1715 by gezelter, Tue May 22 21:55:31 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	+	#include <cmath>
44		#include "primitives/Atom.hpp"
45	+	#include "types/FluctuatingChargeAdapter.hpp"
46	+
47		namespace OpenMD {
48
49		Atom::Atom(AtomType* at) : StuntDouble(otAtom, &Snapshot::atomData),
50		atomType_(at) {
51		mass_ = at->getMass();
52	+	if (at->isFluctuatingCharge()) {
53	+	FluctuatingChargeAdapter fca = FluctuatingChargeAdapter(at);
54	+	chargeMass_ = fca.getChargeMass();
55	+	} else {
56	+	chargeMass_ = INFINITY;
57	+	}
58		}
59
60		Mat3x3d Atom::getI() {

Comparing:
trunk/src/primitives/Atom.cpp (property svn:keywords), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/primitives/Atom.cpp (property svn:keywords), Revision 1715 by gezelter, Tue May 22 21:55:31 2012 UTC

#	Line 0 | Line 1
1	+	Author Id Revision Date

Diff Legend

–	Removed lines
+	Added lines
<	Changed lines
>	Changed lines