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

Comparing trunk/src/applications/dynamicProps/DynamicProps.cpp (file contents):
Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 1026 by gezelter, Wed Aug 30 21:04:04 2006 UTC

#	Line 52 \| Line 52
52		#include "applications/dynamicProps/DipoleCorrFunc.hpp"
53		#include "applications/dynamicProps/RCorrFunc.hpp"
54		#include "applications/dynamicProps/VCorrFunc.hpp"
55	+	#include "applications/dynamicProps/LegendreCorrFunc.hpp"
56
57	+
58		using namespace oopse;
59
60		int main(int argc, char* argv[]){
#	Line 70 \| 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;
73	–
74	–	std::string mdFileName = dumpFileName.substr(0, dumpFileName.rfind(".")) + ".md";
75	–
75
76		std::string sele1;
77		std::string sele2;
#	Line 105 \| 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;
#	Line 116 \| Line 115 \| *int main(int argc, char argv[]){**
115		}
116		else if (args_info.vcorr_given) {
117		corrFunc = new VCorrFunc(info, dumpFileName, sele1, sele2);
118	+	} else if (args_info.lcorr_given) {
119	+	int order;
120	+	if (args_info.order_given)
121	+	order = args_info.order_arg;
122	+	else {
123	+	sprintf( painCave.errMsg,
124	+	"--order must be set if --lcoor is set\n");
125	+	painCave.severity = OOPSE_ERROR;
126	+	painCave.isFatal = 1;
127	+	simError();
128	+	}
129	+
130	+	corrFunc = new LegendreCorrFunc(info, dumpFileName, sele1, sele2, order);
131		}
132
133		if (args_info.output_given) {

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