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read_formatted_basis_file Error #281

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stedonnelly opened this issue Aug 2, 2023 · 1 comment
Open

read_formatted_basis_file Error #281

stedonnelly opened this issue Aug 2, 2023 · 1 comment

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@stedonnelly
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In attempting to read a basis set in molpro format, I encountered the following error:

AttributeError: module 'basis_set_exchange.readers.helpers' has no attribute 'create_element_data'

The issue seemed to be in the molpro.py reader on line 88, it reads:

element_data = helpers.create_element_data(bs_data, element_Z, 'electron_shells')

Does changing the helper to manip potentially fix this issue as done in the libmol fix?
@bennybp
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bennybp commented Aug 2, 2023

Sorry about that. This is fixed in #278, which should be merged very soon

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@bennybp @stedonnelly