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root/OpenMD/trunk/src/applications/dynamicProps/DynamicProps.cpp

Comparing trunk/src/applications/dynamicProps/DynamicProps.cpp (file contents):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1596 by gezelter, Mon Jul 25 17:30:53 2011 UTC

#	Line 46 | Line 46
46		#include "brains/Register.hpp"
47		#include "brains/SimCreator.hpp"
48		#include "brains/SimInfo.hpp"
49	+	#include "utils/StringUtils.hpp"
50		#include "utils/simError.h"
51
52		#include "applications/dynamicProps/DynamicPropsCmd.h"
#	Line 57 | Line 58
58		#include "applications/dynamicProps/ThetaCorrFunc.hpp"
59		#include "applications/dynamicProps/DirectionalRCorrFunc.hpp"
60		#include "applications/dynamicProps/EnergyCorrFunc.hpp"
61	+	#include "applications/dynamicProps/StressCorrFunc.hpp"
62
63
64		using namespace OpenMD;
#	Line 106 | Line 108 | int main(int argc, char* argv[]){
108		}
109		}
110
111	+	// use the memory string to figure out how much memory we can use:
112	+	char *end;
113	+	long long int memSize = memparse(args_info.memory_arg, &end);
114	+	sprintf( painCave.errMsg,
115	+	"Amount of memory being used: %llu bytes\n", memSize);
116	+	painCave.severity = OPENMD_INFO;
117	+	painCave.isFatal = 0;
118	+	simError();
119	+
120		//parse md file and set up the system
121		SimCreator creator;
122		SimInfo* info = creator.createSim(dumpFileName, false);
#	Line 113 | Line 124 | int main(int argc, char* argv[]){
124
125		TimeCorrFunc* corrFunc;
126		if (args_info.dcorr_given){
127	<	corrFunc = new DipoleCorrFunc(info, dumpFileName, sele1, sele2);
127	>	corrFunc = new DipoleCorrFunc(info, dumpFileName, sele1, sele2, memSize);
128		} else if (args_info.rcorr_given) {
129	<	corrFunc = new RCorrFunc(info, dumpFileName, sele1, sele2);
129	>	corrFunc = new RCorrFunc(info, dumpFileName, sele1, sele2, memSize);
130		} else if (args_info.r_rcorr_given) {
131	<	corrFunc = new RadialRCorrFunc(info, dumpFileName, sele1, sele2);
131	>	corrFunc = new RadialRCorrFunc(info, dumpFileName, sele1, sele2, memSize);
132		} else if (args_info.thetacorr_given) {
133	<	corrFunc = new ThetaCorrFunc(info, dumpFileName, sele1, sele2);
133	>	corrFunc = new ThetaCorrFunc(info, dumpFileName, sele1, sele2, memSize);
134		} else if (args_info.drcorr_given) {
135	<	corrFunc = new DirectionalRCorrFunc(info, dumpFileName, sele1, sele2);
135	>	corrFunc = new DirectionalRCorrFunc(info, dumpFileName, sele1, sele2, memSize);
136		} else if (args_info.vcorr_given) {
137	<	corrFunc = new VCorrFunc(info, dumpFileName, sele1, sele2);
137	>	corrFunc = new VCorrFunc(info, dumpFileName, sele1, sele2, memSize);
138		} else if (args_info.helfandEcorr_given){
139	<	corrFunc = new EnergyCorrFunc(info, dumpFileName, sele1, sele2);
139	>	corrFunc = new EnergyCorrFunc(info, dumpFileName, sele1, sele2, memSize);
140	>	} else if (args_info.stresscorr_given){
141	>	corrFunc = new StressCorrFunc(info, dumpFileName, sele1, sele2, memSize);
142		} else if (args_info.lcorr_given) {
143		int order;
144		if (args_info.order_given)
#	Line 138 | Line 151 | int main(int argc, char* argv[]){
151		simError();
152		}
153
154	<	corrFunc = new LegendreCorrFunc(info, dumpFileName, sele1, sele2, order);
154	>	corrFunc = new LegendreCorrFunc(info, dumpFileName, sele1, sele2, order, memSize);
155		}
156
157		if (args_info.output_given) {

Comparing trunk/src/applications/dynamicProps/DynamicProps.cpp (property svn:keywords):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1596 by gezelter, Mon Jul 25 17:30:53 2011 UTC

#	Line 0 | Line 1
1	+	Author Id Revision Date

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