--- trunk/src/applications/staticProps/StaticPropsCmd.h 2014/04/23 20:34:17 1991 +++ trunk/src/applications/staticProps/StaticPropsCmd.h 2014/04/29 17:32:31 1993 @@ -112,7 +112,8 @@ struct gengetopt_args_info char * radius_orig; /**< @brief nanoparticle radius original value given at command line. */ const char *radius_help; /**< @brief nanoparticle radius help description. */ const char *bo_help; /**< @brief bond order parameter (--rcut must be specified) help description. */ - const char *bor_help; /**< @brief bond order parameter as a function of radius (--rcut must be specified) help description. */ + const char *ior_help; /**< @brief icosahedral bond order parameter as a function of radius (--rcut must be specified) help description. */ + const char *for_help; /**< @brief FCC bond order parameter as a function of radius (--rcut must be specified) help description. */ const char *bad_help; /**< @brief N(theta) bond angle density within (--rcut must be specified) help description. */ const char *count_help; /**< @brief count of molecules matching selection criteria (and associated statistics) help description. */ const char *gofr_help; /**< @brief g(r) help description. */ @@ -139,6 +140,7 @@ struct gengetopt_args_info const char *rnemdz_help; /**< @brief slab-resolved RNEMD statistics (temperature, density, velocity) help description. */ const char *rnemdr_help; /**< @brief shell-resolved RNEMD statistics (temperature, density, angular velocity) help description. */ const char *rnemdrt_help; /**< @brief shell and angle-resolved RNEMD statistics (temperature, density, angular velocity) help description. */ + const char *uFreqMap_help; /**< @brief electrostatic potential to frequency map based on the Cho nitrile fits help description. */ unsigned int help_given ; /**< @brief Whether help was given. */ unsigned int version_given ; /**< @brief Whether version was given. */ @@ -167,7 +169,8 @@ struct gengetopt_args_info unsigned int end_given ; /**< @brief Whether end was given. */ unsigned int radius_given ; /**< @brief Whether radius was given. */ unsigned int bo_given ; /**< @brief Whether bo was given. */ - unsigned int bor_given ; /**< @brief Whether bor was given. */ + unsigned int ior_given ; /**< @brief Whether ior was given. */ + unsigned int for_given ; /**< @brief Whether for was given. */ unsigned int bad_given ; /**< @brief Whether bad was given. */ unsigned int count_given ; /**< @brief Whether count was given. */ unsigned int gofr_given ; /**< @brief Whether gofr was given. */ @@ -194,6 +197,7 @@ struct gengetopt_args_info unsigned int rnemdz_given ; /**< @brief Whether rnemdz was given. */ unsigned int rnemdr_given ; /**< @brief Whether rnemdr was given. */ unsigned int rnemdrt_given ; /**< @brief Whether rnemdrt was given. */ + unsigned int uFreqMap_given ; /**< @brief Whether uFreqMap was given. */ char **inputs ; /**< @brief unamed options (options without names) */ unsigned inputs_num ; /**< @brief unamed options number */