| 35 |
|
* |
| 36 |
|
* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
| 37 |
|
* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
| 38 |
< |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
| 38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
| 39 |
|
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
|
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
| 41 |
|
*/ |
| 77 |
|
#include "applications/staticProps/AngleR.hpp" |
| 78 |
|
#include "applications/staticProps/TetrahedralityParam.hpp" |
| 79 |
|
#include "applications/staticProps/TetrahedralityParamZ.hpp" |
| 80 |
+ |
#include "applications/staticProps/RNEMDStats.hpp" |
| 81 |
+ |
|
| 82 |
|
using namespace OpenMD; |
| 83 |
|
|
| 84 |
|
int main(int argc, char* argv[]){ |
| 307 |
|
analyser = new ObjectCount(info, dumpFileName, sele1 ); |
| 308 |
|
} else if (args_info.slab_density_given) { |
| 309 |
|
analyser = new RhoZ(info, dumpFileName, sele1, args_info.nbins_arg); |
| 310 |
+ |
} else if (args_info.rnemdz_given) { |
| 311 |
+ |
analyser = new RNEMDZ(info, dumpFileName, sele1, args_info.nbins_arg); |
| 312 |
+ |
} else if (args_info.rnemdr_given) { |
| 313 |
+ |
analyser = new RNEMDR(info, dumpFileName, sele1, args_info.nbins_arg); |
| 314 |
|
} else if (args_info.p_angle_given) { |
| 315 |
|
analyser = new pAngle(info, dumpFileName, sele1, args_info.nbins_arg); |
| 316 |
|
#if defined(HAVE_FFTW_H) || defined(HAVE_DFFTW_H) || defined(HAVE_FFTW3_H) |