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mirror of https://github.com/LCPQ/EMSL_Basis_Set_Exchange_Local synced 2025-01-08 20:33:13 +01:00

Minor bug

This commit is contained in:
Thomas Applencourt 2015-01-08 16:58:57 +01:00
parent 44bf2f0384
commit 9abbc80ef0

View File

@ -88,8 +88,10 @@ if __name__ == '__main__':
#\____/ \__,_|___/_|___/ \__,_|\__,_|\__\__,_| #\____/ \__,_|___/_|___/ \__,_|\__,_|\__\__,_|
if arguments["get_basis_data"]: if arguments["get_basis_data"]:
e = EMSL_local(db_path=db_path) e = EMSL_local(db_path=db_path)
basis_name = arguments["--basis"]
elts = arguments["--ele"]
l = e.get_basis(arguments["--basis"], arguments["--ele"]) l = e.get_basis(basis_name, elts)
str_ = "\n\n".join(l) + "\n" str_ = "\n\n".join(l) + "\n"
if arguments["--save"]: if arguments["--save"]: