Exposes the Charges piece of Nuclei to Python

NWChemEx / Chemist

Library for describing chemical systems

https://nwchemex.github.io/Chemist/

Apache License 2.0

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Closed ryanmrichard closed 2 months ago

ryanmrichard commented 2 months ago

Is this pull request associated with an issue(s)? No

Description Right now in Python we can't call gradient modules correctly because Nuclei didn't expose the Charges piece. This PR fixes that.

TODOs None if CI passes.

jwaldrop107 commented 2 months ago

Also, add #include <sstream> to src/python/chemical_system/point_charge/export_charges_view.cpp to appease Clang.

jwaldrop107 commented 2 months ago

🚀 [bumpr] Bumped! New version:v1.2.8 Changes:v1.2.7...v1.2.8