[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 2046 by gezelter, Tue Dec 2 22:11:04 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		*/
42
43	–	/**
44	–	* @file Stats.hpp
45	–	* @author tlin
46	–	* @date 11/04/2004
47	–	* @time 23:56am
48	–	* @version 1.0
49	–	*/
50	–
43		#ifndef BRAINS_STATS_HPP
44		#define BRAINS_STATS_HPP
45
#	Line 80 \| Line 72 \| namespace OpenMD {
72		ROTATIONAL_KINETIC,
73		LONG_RANGE_POTENTIAL,
74		VANDERWAALS_POTENTIAL,
75	<	ELECTROSTATIC_POTENTIAL,
75	>	ELECTROSTATIC_POTENTIAL,
76		METALLIC_POTENTIAL,
77		HYDROGENBONDING_POTENTIAL,
78	+	RECIPROCAL_POTENTIAL,
79		SHORT_RANGE_POTENTIAL,
80		BOND_POTENTIAL,
81		BEND_POTENTIAL,
#	Line 92 \| Line 85 \| namespace OpenMD {
85		RESTRAINT_POTENTIAL,
86		PRESSURE_TENSOR,
87		SYSTEM_DIPOLE,
88	+	SYSTEM_QUADRUPOLE,
89		TAGGED_PAIR_DISTANCE,
90		SHADOWH,
91		HELFANDMOMENT,
92		HEATFLUX,
93		ELECTRONIC_TEMPERATURE,
94	+	COM,
95	+	COM_VELOCITY,
96	+	ANGULAR_MOMENTUM,
97		ENDINDEX //internal use
98		};
99
#	Line 111 \| Line 108 \| namespace OpenMD {
108		typedef map<string, StatsIndex> StatsMapType;
109
110		Stats(SimInfo* info);
111	+	virtual ~Stats();
112		void parseStatFileFormat(const std::string& format);
113		void collectStats();
114

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