--- trunk/src/applications/staticProps/StaticPropsCmd.h 2014/08/13 20:42:43 2015 +++ trunk/src/applications/staticProps/StaticPropsCmd.h 2015/01/06 21:44:10 2049 @@ -66,6 +66,9 @@ struct gengetopt_args_info double rcut_arg; /**< @brief cutoff radius (rcut). */ char * rcut_orig; /**< @brief cutoff radius (rcut) original value given at command line. */ const char *rcut_help; /**< @brief cutoff radius (rcut) help description. */ + double thetacut_arg; /**< @brief cutoff angle (thetacut). */ + char * thetacut_orig; /**< @brief cutoff angle (thetacut) original value given at command line. */ + const char *thetacut_help; /**< @brief cutoff angle (thetacut) help description. */ double dz_arg; /**< @brief slab width (dz). */ char * dz_orig; /**< @brief slab width (dz) original value given at command line. */ const char *dz_help; /**< @brief slab width (dz) help description. */ @@ -149,6 +152,8 @@ struct gengetopt_args_info const char *rnemdrt_help; /**< @brief shell and angle-resolved RNEMD statistics (temperature, density, angular velocity) help description. */ const char *nitrile_help; /**< @brief electrostatic potential to frequency map based on the Cho nitrile fits help description. */ const char *multipole_help; /**< @brief average multipole moments contained within cutoff spheres as a function of radius help description. */ + const char *surfDiffusion_help; /**< @brief X, Y, and R (surface diffusion if Z exposed and bulk immobile) diffusion help description. */ + const char *hbond_help; /**< @brief Hydrogen Bonding statistics using geometric criteria (rcut and thetacut must be specified) help description. */ unsigned int help_given ; /**< @brief Whether help was given. */ unsigned int version_given ; /**< @brief Whether version was given. */ @@ -161,6 +166,7 @@ struct gengetopt_args_info unsigned int nbins_z_given ; /**< @brief Whether nbins_z was given. */ unsigned int nanglebins_given ; /**< @brief Whether nanglebins was given. */ unsigned int rcut_given ; /**< @brief Whether rcut was given. */ + unsigned int thetacut_given ; /**< @brief Whether thetacut was given. */ unsigned int dz_given ; /**< @brief Whether dz was given. */ unsigned int length_given ; /**< @brief Whether length was given. */ unsigned int zlength_given ; /**< @brief Whether zlength was given. */ @@ -210,6 +216,8 @@ struct gengetopt_args_info unsigned int rnemdrt_given ; /**< @brief Whether rnemdrt was given. */ unsigned int nitrile_given ; /**< @brief Whether nitrile was given. */ unsigned int multipole_given ; /**< @brief Whether multipole was given. */ + unsigned int surfDiffusion_given ; /**< @brief Whether surfDiffusion was given. */ + unsigned int hbond_given ; /**< @brief Whether hbond was given. */ char **inputs ; /**< @brief unamed options (options without names) */ unsigned inputs_num ; /**< @brief unamed options number */