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https://github.com/LCPQ/EMSL_Basis_Set_Exchange_Local
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Minor bug
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44bf2f0384
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@ -88,8 +88,10 @@ if __name__ == '__main__':
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#\____/ \__,_|___/_|___/ \__,_|\__,_|\__\__,_|
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#\____/ \__,_|___/_|___/ \__,_|\__,_|\__\__,_|
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if arguments["get_basis_data"]:
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if arguments["get_basis_data"]:
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e = EMSL_local(db_path=db_path)
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e = EMSL_local(db_path=db_path)
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basis_name = arguments["--basis"]
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elts = arguments["--ele"]
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l = e.get_basis(arguments["--basis"], arguments["--ele"])
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l = e.get_basis(basis_name, elts)
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str_ = "\n\n".join(l) + "\n"
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str_ = "\n\n".join(l) + "\n"
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if arguments["--save"]:
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if arguments["--save"]:
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