--- trunk/src/applications/dynamicProps/DynamicPropsCmd.h 2013/07/29 17:55:17 1915 +++ trunk/src/applications/dynamicProps/DynamicPropsCmd.h 2014/10/16 19:13:51 2024 @@ -63,9 +63,12 @@ struct gengetopt_args_info const char *selecorr_help; /**< @brief selection correlation function help description. */ const char *rcorr_help; /**< @brief rmsd help description. */ const char *vcorr_help; /**< @brief velocity correlation function help description. */ + const char *vcorrZ_help; /**< @brief velocity correlation function along z-axis help description. */ + const char *vcorrR_help; /**< @brief velocity correlation function projected radially help description. */ const char *dcorr_help; /**< @brief dipole correlation function help description. */ const char *lcorr_help; /**< @brief Lengendre correlation function help description. */ const char *lcorrZ_help; /**< @brief Lengendre correlation function binned by Z help description. */ + const char *cohZ_help; /**< @brief Lengendre correlation function for OH bond vectors binned by Z help description. */ const char *sdcorr_help; /**< @brief System dipole correlation function help description. */ const char *r_rcorr_help; /**< @brief Radial rmsd help description. */ const char *thetacorr_help; /**< @brief Angular rmsd help description. */ @@ -73,6 +76,8 @@ struct gengetopt_args_info const char *helfandEcorr_help; /**< @brief Helfand moment for thermal conductvity help description. */ const char *momentum_help; /**< @brief Helfand momentum for viscosity help description. */ const char *stresscorr_help; /**< @brief Stress tensor correlation function help description. */ + const char *bondcorr_help; /**< @brief Bond extension correlation function help description. */ + const char *freqfluccorr_help; /**< @brief Frequency Fluctuation correlation function help description. */ unsigned int help_given ; /**< @brief Whether help was given. */ unsigned int version_given ; /**< @brief Whether version was given. */ @@ -86,9 +91,12 @@ struct gengetopt_args_info unsigned int selecorr_given ; /**< @brief Whether selecorr was given. */ unsigned int rcorr_given ; /**< @brief Whether rcorr was given. */ unsigned int vcorr_given ; /**< @brief Whether vcorr was given. */ + unsigned int vcorrZ_given ; /**< @brief Whether vcorrZ was given. */ + unsigned int vcorrR_given ; /**< @brief Whether vcorrR was given. */ unsigned int dcorr_given ; /**< @brief Whether dcorr was given. */ unsigned int lcorr_given ; /**< @brief Whether lcorr was given. */ unsigned int lcorrZ_given ; /**< @brief Whether lcorrZ was given. */ + unsigned int cohZ_given ; /**< @brief Whether cohZ was given. */ unsigned int sdcorr_given ; /**< @brief Whether sdcorr was given. */ unsigned int r_rcorr_given ; /**< @brief Whether r_rcorr was given. */ unsigned int thetacorr_given ; /**< @brief Whether thetacorr was given. */ @@ -96,6 +104,8 @@ struct gengetopt_args_info unsigned int helfandEcorr_given ; /**< @brief Whether helfandEcorr was given. */ unsigned int momentum_given ; /**< @brief Whether momentum was given. */ unsigned int stresscorr_given ; /**< @brief Whether stresscorr was given. */ + unsigned int bondcorr_given ; /**< @brief Whether bondcorr was given. */ + unsigned int freqfluccorr_given ; /**< @brief Whether freqfluccorr was given. */ char **inputs ; /**< @brief unamed options (options without names) */ unsigned inputs_num ; /**< @brief unamed options number */