| 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 |
|
|
| 83 |
|
using namespace OpenMD; |
| 84 |
|
|
| 327 |
|
} else if (args_info.rnemdrt_given) { |
| 328 |
|
analyser = new RNEMDRTheta(info, dumpFileName, sele1, |
| 329 |
|
args_info.nbins_arg, args_info.nanglebins_arg); |
| 330 |
+ |
} else if (args_info.nitrile_given) { |
| 331 |
+ |
analyser = new NitrileFrequencyMap(info, dumpFileName, sele1, |
| 332 |
+ |
args_info.nbins_arg); |
| 333 |
|
} else if (args_info.p_angle_given) { |
| 334 |
|
if (args_info.sele1_given) { |
| 335 |
|
if (args_info.sele2_given) |