LCPQ/EMSL_Basis_Set_Exchange_Local
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@ -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 <db_path>
EMSL_api.py get_list_elements <db_path> <basis_name>
EMSL_api.py get_basis_data <db_path> <basis_name> <elts>...
EMSL_api.py get_list_formats
EMSL_api.py create_db <db_path> <format> [--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
<db_path> is the path to the SQLite3 file containing the Basis sets.
```