[ViewVC] Diff of: OpenMD/trunk/src/applications/dynamicProps/DynamicProps.cpp

Comparing trunk/src/applications/dynamicProps/DynamicProps.cpp (file contents):
Revision 916 by tim, Fri Mar 24 16:49:09 2006 UTC vs.
Revision 1026 by gezelter, Wed Aug 30 21:04:04 2006 UTC

#	Line 50 \| Line 50
50
51		#include "applications/dynamicProps/DynamicPropsCmd.h"
52		#include "applications/dynamicProps/DipoleCorrFunc.hpp"
53	–	#include "applications/dynamicProps/RMSD.hpp"
53		#include "applications/dynamicProps/RCorrFunc.hpp"
54		#include "applications/dynamicProps/VCorrFunc.hpp"
55		#include "applications/dynamicProps/LegendreCorrFunc.hpp"
#	Line 73 \| Line 72 \| *int main(int argc, char argv[]){**
72
73		//get the dumpfile name and meta-data file name
74		std::string dumpFileName = args_info.input_arg;
76	–
77	–	std::string mdFileName = dumpFileName.substr(0, dumpFileName.rfind(".")) + ".md";
78	–
75
76		std::string sele1;
77		std::string sele2;
#	Line 108 \| Line 104 \| *int main(int argc, char argv[]){**
104
105		//parse md file and set up the system
106		SimCreator creator;
107	<	SimInfo* info = creator.createSim(mdFileName, false);
107	>	SimInfo* info = creator.createSim(dumpFileName, false);
108
109
110		TimeCorrFunc* corrFunc;
111	<	if (args_info.rmsd_given) {
116	<	corrFunc = new RMSD(info, dumpFileName, sele1, sele2);
117	<	} else if (args_info.dcorr_given){
111	>	if (args_info.dcorr_given){
112		corrFunc = new DipoleCorrFunc(info, dumpFileName, sele1, sele2);
113		} else if (args_info.rcorr_given) {
114		corrFunc = new RCorrFunc(info, dumpFileName, sele1, sele2);

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