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Add electronic structure methods for Species (#3902)
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* prettify periodic_table.json

* fix energy ordering of electronic structures for elements

* fix typo

* Species: implement electron configuration methods

* prettify periodic_table.json

* fix energy ordering of electronic structures for elements

* fix typo

* Species: implement electron configuration methods

* fix get_crystal_field_spin

* fix _get_number_of_d_electrons

* fix PotcarSingle test

* fix json typo

* prettify periodic_table.json for readability

* prettify periodic_table.json for readability

* pre-commit auto-fixes

* convert Electronic Structure in per table data to dict

Dict is keyed by oxidation state of the element. This work is
to prepare for implementation of Species.electronic_structure

* add ion el str to Group I and II cations

* implement Species.electronic_structure methods

* update docstrings for electronic struct methods

* pre-commit auto-fixes

* linting

* revert changes to degree symbol

* revert reordered energy levels

* complete ion electron configs

* revert reordered energy levels

* add comprehensive species test; correct json

* pre-commit auto-fixes

* add add'l oxi states relevant to aqueous media

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Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
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rkingsbury and pre-commit-ci[bot] authored Jul 16, 2024
1 parent 58e8a35 commit 454aa5e
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