--- trunk/src/applications/staticProps/StaticProps.cpp 2013/01/31 15:55:47 1846 +++ trunk/src/applications/staticProps/StaticProps.cpp 2013/06/16 15:15:42 1879 @@ -35,7 +35,7 @@ * * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). - * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). + * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ @@ -77,6 +77,8 @@ #include "applications/staticProps/AngleR.hpp" #include "applications/staticProps/TetrahedralityParam.hpp" #include "applications/staticProps/TetrahedralityParamZ.hpp" +#include "applications/staticProps/RNEMDStats.hpp" + using namespace OpenMD; int main(int argc, char* argv[]){ @@ -305,6 +307,10 @@ int main(int argc, char* argv[]){ analyser = new ObjectCount(info, dumpFileName, sele1 ); } else if (args_info.slab_density_given) { analyser = new RhoZ(info, dumpFileName, sele1, args_info.nbins_arg); + } else if (args_info.rnemdz_given) { + analyser = new RNEMDZ(info, dumpFileName, sele1, args_info.nbins_arg); + } else if (args_info.rnemdr_given) { + analyser = new RNEMDR(info, dumpFileName, sele1, args_info.nbins_arg); } else if (args_info.p_angle_given) { analyser = new pAngle(info, dumpFileName, sele1, args_info.nbins_arg); #if defined(HAVE_FFTW_H) || defined(HAVE_DFFTW_H) || defined(HAVE_FFTW3_H)