[ViewVC] Diff of: OpenMD/trunk/src/io/DumpWriter.hpp

Comparing trunk/src/io/DumpWriter.hpp (file contents):
Revision 1610 by gezelter, Fri Aug 12 14:37:25 2011 UTC vs.
Revision 1993 by gezelter, Tue Apr 29 17:32:31 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).
39	<	* [4] Vardeman & Gezelter, in progress (2009).
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		#ifndef IO_DUMPWRITER_HPP
#	Line 52 \| Line 53
53		#include <string.h>
54		#include <stdio.h>
55		#include <stdlib.h>
56	<	#include <unistd.h>
56	>	// #include <unistd.h>
57		#include <sys/types.h>
58		#include <sys/stat.h>
59
#	Line 83 \| Line 84 \| namespace OpenMD {
84
85		void writeFrame(std::ostream& os);
86		void writeFrameProperties(std::ostream& os, Snapshot* s);
87	<	std::string prepareDumpLine(StuntDouble* integrableObject);
87	>	std::string prepareDumpLine(StuntDouble* sd);
88	>	std::string prepareSiteLine(StuntDouble* sd, int ioIndex, int siteIndex);
89		std::ostream* createOStream(const std::string& filename);
90		void writeClosing(std::ostream& os);
91
#	Line 94 \| Line 96 \| namespace OpenMD {
96		bool needCompression_;
97		bool needForceVector_;
98		bool needParticlePot_;
99	+	bool needFlucQ_;
100	+	bool needElectricField_;
101	+	bool needSitePotential_;
102	+	bool doSiteData_;
103		bool createDumpFile_;
104		};
105

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