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

Comparing trunk/src/brains/SimCreator.hpp (file contents):
Revision 1878 by gezelter, Wed Aug 22 02:28:28 2012 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 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 44 \| Line 44
44		* @file SimCreator.hpp
45		* @author tlin
46		* @date 11/02/2004
47	–	* @time 12:126am
47		* @version 1.0
48		*/
49
#	Line 74 \| Line 73 \| namespace OpenMD {
73		/**
74		* Setup Simulation
75		* @return a pointer to SimInfo
76	<	* @param mdfile the meta-data file name
76	>	* @param mdFileName the meta-data file name
77	>	* @param loadInitCoords should the initial coordinates be loaded from a file?
78		*/
79		SimInfo* createSim(const std::string & mdFileName, bool loadInitCoords = true);
80
#	Line 82 \| Line 82 \| namespace OpenMD {
82
83		/**
84		* Parses the meta-data file
85	<	* @param mdfile
86	<	* @return simParams
85	>	* @param mdFileName the meta-data file name
86	>	* @param rawMetaData the raw meta-data stream
87	>	* @param mdFileVersion the version of code used to create the meta-data file
88	>	* @param metaDataStartingLine the starting line of the meta-data block
89	>	* @return a pointer to the simulation parameters in a #Globals object
90		*/
91		Globals* parseFile(std::istream& rawMetaData, const std::string& mdFileName, int mdFileVersion, int metaDataStartingLine);
92

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