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root/OpenMD/trunk/src/applications/staticProps/StaticProps.cpp
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Comparing trunk/src/applications/staticProps/StaticProps.cpp (file contents):
Revision 1128 by chuckv, Wed Apr 11 23:27:20 2007 UTC vs.
Revision 1180 by chuckv, Mon Sep 17 20:05:51 2007 UTC

# Line 62 | Line 62
62   #include "applications/staticProps/SCDOrderParameter.hpp"
63   #include "applications/staticProps/DensityPlot.hpp"
64   #include "applications/staticProps/RhoZ.hpp"
65 + #include "applications/staticProps/BondAngleDistribution.hpp"
66 + #include "applications/staticProps/NanoVolume.hpp"
67   #if defined(HAVE_FFTW_H) || defined(HAVE_DFFTW_H) || defined(HAVE_FFTW3_H)
68   #include "applications/staticProps/Hxy.hpp"
69   #endif
# Line 227 | Line 229 | int main(int argc, char* argv[]){
229        painCave.isFatal = 1;
230        simError();
231      }
232 +  } else if (args_info.bad_given){
233 +    if (args_info.rcut_given) {
234 +      analyser = new BondAngleDistribution(info, dumpFileName, sele1, args_info.rcut_arg,
235 +                            args_info.nbins_arg);
236 +    } else {
237 +      sprintf( painCave.errMsg,
238 +               "A cutoff radius (rcut) must be specified when calculating Bond Angle Distributions");
239 +      painCave.severity = OOPSE_ERROR;
240 +      painCave.isFatal = 1;
241 +      simError();
242 +    }
243    } else if (args_info.scd_given) {
244      if (batchMode) {
245        analyser  = new SCDOrderParameter(info, dumpFileName, args_info.molname_arg,
# Line 256 | Line 269 | int main(int argc, char* argv[]){
269        painCave.isFatal = 1;
270        simError();
271      }
272 +        }else if (args_info.hullvol_given) {
273 +    analyser = new NanoVolume(info, dumpFileName, sele1);
274    }
275    
276    if (args_info.output_given) {

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