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

Comparing trunk/src/applications/staticProps/StaticProps.cpp (file contents):
Revision 1992 by gezelter, Thu Apr 24 17:30:00 2014 UTC vs.
Revision 1998 by gezelter, Fri May 30 19:48:35 2014 UTC

#	Line 78 \| Line 78
78		#include "applications/staticProps/TetrahedralityParam.hpp"
79		#include "applications/staticProps/TetrahedralityParamZ.hpp"
80		#include "applications/staticProps/RNEMDStats.hpp"
81	+	#include "applications/staticProps/NitrileFrequencyMap.hpp"
82	+	#include "applications/staticProps/MultipoleSum.hpp"
83
84		using namespace OpenMD;
85
#	Line 238 \| Line 240 \| *int main(int argc, char argv[]){**
240		} else {
241		sprintf( painCave.errMsg,
242		"A cutoff radius (rcut) must be specified when calculating Bond Order Parameters");
243	+	painCave.severity = OPENMD_ERROR;
244	+	painCave.isFatal = 1;
245	+	simError();
246	+	}
247	+	} else if (args_info.multipole_given){
248	+	if (args_info.rcut_given) {
249	+	analyser = new MultipoleSum(info, dumpFileName, sele1,
250	+	args_info.rcut_arg);
251	+	} else {
252	+	sprintf( painCave.errMsg,
253	+	"A cutoff radius (rcut) must be specified when calculating Multipole Sums");
254		painCave.severity = OPENMD_ERROR;
255		painCave.isFatal = 1;
256		simError();
#	Line 326 \| Line 339 \| *int main(int argc, char argv[]){**
339		} else if (args_info.rnemdrt_given) {
340		analyser = new RNEMDRTheta(info, dumpFileName, sele1,
341		args_info.nbins_arg, args_info.nanglebins_arg);
342	+	} else if (args_info.nitrile_given) {
343	+	analyser = new NitrileFrequencyMap(info, dumpFileName, sele1,
344	+	args_info.nbins_arg);
345		} else if (args_info.p_angle_given) {
346		if (args_info.sele1_given) {
347		if (args_info.sele2_given)

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