LCPQ/EMSL_Basis_Set_Exchange_Local
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Example of use

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This commit is contained in:
Thomas Applencourt 2015-01-20 14:24:44 +01:00
parent 7c6812f258
commit ad2a00cfb9
1 changed files with 6 additions and 1 deletions
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EMSL_api.py
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@ -27,9 +27,14 @@ Options:
<db_path> is the path to the SQLite3 file containing the Basis sets. <db_path> is the path to the SQLite3 file containing the Basis sets.
By default is $EMSL_API_ROOT/db/Gausian_uk.db By default is $EMSL_API_ROOT/db/Gausian_uk.db
Example of use:
./EMSL_api.py list_basis --atom Al --atom U
./EMSL_api.py list_atoms --basis ANO-RCC
./EMSL_api.py get_basis_data --basis 3-21++G*
""" """
version = "0.2.0" version = "0.2.2"
import sys import sys
import os import os