2014-11-12 14:36:12 +01:00
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EMSL_Basis_Set_Exchange_Local
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=============================
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Create of Local Copy of the famous EMSL Basis Set Exhange. No more lag and a API for scripting.
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2014-11-12 16:36:38 +01:00
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##Usage
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```
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EMSL Api.
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Usage:
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EMSL_api.py get_list_basis <db_path>
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EMSL_api.py get_list_elements <db_path> <basis_name>
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EMSL_api.py get_basis_data <db_path> <basis_name> <elts>...
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EMSL_api.py get_list_formats
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EMSL_api.py create_db <db_path> <format> [--no-contraction]
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EMSL_api.py (-h | --help)
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EMSL_api.py --version
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Options:
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-h --help Show this screen.
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--version Show version.
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--no-contraction Basis functions are not contracted
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<db_path> is the path to the SQLite3 file containing the Basis sets.
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```
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