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MolSSI-BSE / basis_set_exchange

A repository for quantum chemistry basis sets
https://molssi-bse.github.io/basis_set_exchange/
BSD 3-Clause "New" or "Revised" License
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Fix issues in RICDLib reader related to moving of code #275

Closed susilehtola closed 1 year ago

susilehtola commented 1 year ago

create_element_data and function_type_from_am have been moved and these changes are needed to make the RICDLib reader work again.

susilehtola commented 1 year ago

@bennybp please merge. the test failure arises from veloxchem writer not supporting cartesian functions; this was not touched by this PR.