| 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 |
|
|
| 244 |
|
painCave.isFatal = 1; |
| 245 |
|
simError(); |
| 246 |
|
} |
| 247 |
< |
|
| 247 |
> |
} else if (args_info.multipole_given){ |
| 248 |
> |
analyser = new MultipoleSum(info, dumpFileName, sele1, |
| 249 |
> |
maxLen, args_info.nbins_arg); |
| 250 |
|
} else if (args_info.tet_param_given) { |
| 251 |
|
if (args_info.rcut_given) { |
| 252 |
|
analyser = new TetrahedralityParam(info, dumpFileName, sele1, |