[ViewVC] Diff of: OpenMD/branches/development/src/applications/staticProps/StaticProps.cpp

Comparing:
trunk/src/applications/staticProps/StaticProps.cpp (file contents), Revision 1445 by chuckv, Tue Jun 8 20:26:50 2010 UTC vs.
branches/development/src/applications/staticProps/StaticProps.cpp (file contents), Revision 1601 by gezelter, Thu Aug 4 20:04:35 2011 UTC

#	Line 57 \| Line 57
57		#include "applications/staticProps/GofRAngle.hpp"
58		#include "applications/staticProps/GofAngle2.hpp"
59		#include "applications/staticProps/GofXyz.hpp"
60	+	#include "applications/staticProps/TwoDGofR.hpp"
61		#include "applications/staticProps/P2OrderParameter.hpp"
62		#include "applications/staticProps/BondOrderParameter.hpp"
63		#include "applications/staticProps/BOPofR.hpp"
#	Line 170 \| Line 171 \| *int main(int argc, char argv[]){**
171
172		//parse md file and set up the system
173		SimCreator creator;
173	–	std::cout << "dumpFile = " << dumpFileName << "\n";
174		SimInfo* info = creator.createSim(dumpFileName);
175
176		RealType maxLen;
#	Line 216 \| Line 216 \| *int main(int argc, char argv[]){**
216		painCave.isFatal = 1;
217		simError();
218		}
219	+	} else if (args_info.twodgofr_given){
220	+	if (args_info.dz_given) {
221	+	analyser= new TwoDGofR(info, dumpFileName, sele1, sele2, maxLen,
222	+	args_info.dz_arg, args_info.nbins_arg);
223	+	} else {
224	+	sprintf( painCave.errMsg,
225	+	"A slab width (dz) must be specified when calculating TwoDGofR");
226	+	painCave.severity = OPENMD_ERROR;
227	+	painCave.isFatal = 1;
228	+	simError();
229	+	}
230		} else if (args_info.p2_given) {
231		analyser = new P2OrderParameter(info, dumpFileName, sele1, sele2);
232		} else if (args_info.rp2_given){

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