LCPQ
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EMSL_Basis_Set_Exchange_Local
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This commit is contained in:
Thomas Applencourt 2015-03-18 13:32:13 +01:00
parent a88ec584d8
commit 46c1c46691
1 changed files with 7 additions and 7 deletions
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EMSL_api.py
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@ -4,12 +4,12 @@
"""EMSL Api.
Usage:
EMSL_api.py list_basis [--basis=<basis_name>...]
[--atom=<atom_name>...]
[--db_path=<db_path>]
[--average_mo_number]
EMSL_api.py list_atoms --basis=<basis_name>
[--db_path=<db_path>]
EMSL_api.py list_basis [--basis=<basis_name>...]
[--atom=<atom_name>...]
[--db_path=<db_path>]
[--average_mo_number]
EMSL_api.py list_atoms --basis=<basis_name>
[--db_path=<db_path>]
EMSL_api.py get_basis_data --basis=<basis_name>
[--atom=<atom_name>...]
[--db_path=<db_path>]
@ -17,7 +17,7 @@ Usage:
[--check=<program_name>]
[--treat_l]
EMSL_api.py list_formats
EMSL_api.py create_db --format=<format>
EMSL_api.py create_db --format=<format>
[--db_path=<db_path>]
[--no-contraction]
EMSL_api.py (-h | --help)