[ViewVC] Diff of: OpenMD/branches/development/src/rnemd/RNEMD.hpp

Comparing branches/development/src/rnemd/RNEMD.hpp (file contents):
Revision 1773 by gezelter, Tue Aug 7 18:26:40 2012 UTC vs.
Revision 1850 by gezelter, Wed Feb 20 15:39:39 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 76 \| Line 76 \| namespace OpenMD {
76		void writeOutputFile();
77		void writeReal(int index, unsigned int bin);
78		void writeVector(int index, unsigned int bin);
79	+	void writeRealStdDev(int index, unsigned int bin);
80	+	void writeVectorStdDev(int index, unsigned int bin);
81
82		private:
83
#	Line 112 \| Line 114 \| namespace OpenMD {
114		string title;
115		string units;
116		string dataType;
117	<	vector<Accumulator*> accumulator;
117	>	vector<BaseAccumulator*> accumulator;
118		};
119
120		typedef bitset<ENDINDEX-BEGININDEX> OutputBitSet;
#	Line 158 \| Line 160 \| namespace OpenMD {
160		vector<OutputData> data_;
161		OutputBitSet outputMask_;
162		OutputMapType outputMap_;
163	+	Accumulator* areaAccumulator_;
164	+	bool doRNEMD_;
165
166		};
167		}

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