[ViewVC] Diff of: OpenMD/trunk/src/brains/Stats.hpp

Comparing trunk/src/brains/Stats.hpp (file contents):
Revision 1791 by gezelter, Fri Aug 31 16:48:50 2012 UTC vs.
Revision 2022 by gezelter, Fri Sep 26 22:22:28 2014 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 80 \| Line 80 \| namespace OpenMD {
80		ROTATIONAL_KINETIC,
81		LONG_RANGE_POTENTIAL,
82		VANDERWAALS_POTENTIAL,
83	<	ELECTROSTATIC_POTENTIAL,
83	>	ELECTROSTATIC_POTENTIAL,
84		METALLIC_POTENTIAL,
85		HYDROGENBONDING_POTENTIAL,
86	+	RECIPROCAL_POTENTIAL,
87		SHORT_RANGE_POTENTIAL,
88		BOND_POTENTIAL,
89		BEND_POTENTIAL,
#	Line 92 \| Line 93 \| namespace OpenMD {
93		RESTRAINT_POTENTIAL,
94		PRESSURE_TENSOR,
95		SYSTEM_DIPOLE,
96	+	SYSTEM_QUADRUPOLE,
97		TAGGED_PAIR_DISTANCE,
98		SHADOWH,
99		HELFANDMOMENT,
100		HEATFLUX,
101		ELECTRONIC_TEMPERATURE,
102	+	COM,
103	+	COM_VELOCITY,
104	+	ANGULAR_MOMENTUM,
105		ENDINDEX //internal use
106		};
107
#	Line 111 \| Line 116 \| namespace OpenMD {
116		typedef map<string, StatsIndex> StatsMapType;
117
118		Stats(SimInfo* info);
119	+	virtual ~Stats();
120		void parseStatFileFormat(const std::string& format);
121		void collectStats();
122

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