diff --git a/README.md b/README.md index 3f5cca0..69c7875 100644 --- a/README.md +++ b/README.md @@ -2,3 +2,25 @@ EMSL_Basis_Set_Exchange_Local ============================= Create of Local Copy of the famous EMSL Basis Set Exhange. No more lag and a API for scripting. + +##Usage + +``` +EMSL Api. + +Usage: + EMSL_api.py get_list_basis + EMSL_api.py get_list_elements + EMSL_api.py get_basis_data ... + EMSL_api.py get_list_formats + EMSL_api.py create_db [--no-contraction] + EMSL_api.py (-h | --help) + EMSL_api.py --version + +Options: + -h --help Show this screen. + --version Show version. + --no-contraction Basis functions are not contracted + + is the path to the SQLite3 file containing the Basis sets. +```