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Pull requests: theochem/gbasis

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Pull requests list

Fixes #168
#170 opened Mar 19, 2024 by Charlie-1-3 Loading…
4 tasks done
Add functions for 1rdms and 2-body exchange hole
#165 opened Jan 29, 2024 by sanchezw17 Loading…
1 of 5 tasks
Add nuclear gradient functions
#164 opened Jan 24, 2024 by msricher Draft
1 of 5 tasks
[pre-commit.ci] pre-commit autoupdate
#161 opened Jan 15, 2024 by pre-commit-ci bot Loading…
Docstring equations in evals and integrals modules
#159 opened Jan 12, 2024 by gabrielasd Loading…
1 of 5 tasks
Autograd
#153 opened Jan 11, 2024 by RichRick1 Loading…
Fix linters and installation using editable mode
#151 opened Jan 10, 2024 by Ali-Tehrani Loading…
1 task
Renaming
#98 opened Jun 28, 2019 by FarnazH Loading…
3 tasks done
Add tests for density evaluations
#94 opened Jun 26, 2019 by kimt33 Loading…
5 tasks done
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