LCPQ/EMSL_Basis_Set_Exchange_Local
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This commit is contained in:
Thomas Applencourt 2015-03-12 14:30:43 +01:00
parent 762eeb521e
commit f5464a0f25
1 changed files with 3 additions and 4 deletions
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EMSL_api.py
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@ -161,10 +161,9 @@ if __name__ == '__main__':
sys.exit(1) sys.exit(1)
contraction = not arguments["--no-contraction"] contraction = not arguments["--no-contraction"]
e = EMSL_dump( e = EMSL_dump(db_path=db_path,
db_path=db_path, format=format_dict[format],
format=format_dict[format], contraction=contraction)
contraction=contraction)
e.new_db() e.new_db()
# _ # _