[ViewVC] Diff of: OpenMD/branches/development/src/primitives/Atom.hpp

Comparing branches/development/src/primitives/Atom.hpp (file contents):
Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC vs.
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		/**
#	Line 93 \| Line 94 \| namespace OpenMD{
94		bool isDipole() {
95		return atomType_->isDipole();
96		}
96	–
97	–	bool isQudrapole() {
98	–	return atomType_->isQuadrupole();
99	–	}
97
98		bool isMultipole() {
99		return atomType_->isMultipole();
#	Line 118 \| Line 115 \| namespace OpenMD{
115		return atomType_->isMetal();
116		}
117
118	+	bool isFluctuatingCharge() {
119	+	return atomType_->isFluctuatingCharge();
120	+	}
121	+
122		int getIdent() {
123		return atomType_->getIdent();
124		}
125
126	+	RealType getChargeMass() {
127	+	return chargeMass_;
128	+	}
129	+
130	+	void setChargeMass(RealType cm) {
131	+	chargeMass_ = cm;
132	+	}
133	+
134		protected:
135		AtomType* atomType_;
136	+	RealType chargeMass_;
137		};
138
139		}//namespace OpenMD

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