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" |
217 |
|
painCave.isFatal = 1; |
218 |
|
simError(); |
219 |
|
} |
220 |
+ |
} else if (args_info.twodgofr_given){ |
221 |
+ |
if (args_info.dz_given) { |
222 |
+ |
analyser= new TwoDGofR(info, dumpFileName, sele1, sele2, maxLen, |
223 |
+ |
args_info.dz_arg, args_info.nbins_arg); |
224 |
+ |
} else { |
225 |
+ |
sprintf( painCave.errMsg, |
226 |
+ |
"A slab width (dz) must be specified when calculating TwoDGofR"); |
227 |
+ |
painCave.severity = OPENMD_ERROR; |
228 |
+ |
painCave.isFatal = 1; |
229 |
+ |
simError(); |
230 |
+ |
} |
231 |
|
} else if (args_info.p2_given) { |
232 |
|
analyser = new P2OrderParameter(info, dumpFileName, sele1, sele2); |
233 |
|
} else if (args_info.rp2_given){ |