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) |