Add Z reporting to error messages #90
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jwaldrop107
approved these changes
Oct 8, 2025
ryanmrichard
approved these changes
Oct 8, 2025
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🚀 [bumpr] Bumped! |
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Is this pull request associated with an issue(s)?
Closes #89
Description
Adds in reporting of Z and N values for the associated basis set and atom modules. Also, this is my first pull request with the implemented pre-commit hooks, so I just wanted to make sure I was using it correctly.
TODOs
std::out_of_rangeerrorsstd::out_of_rangeerrors