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Pull requests: theochem/gbasis

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Pull requests list

Fix pre-commit errors (#192)
#193 opened Jul 10, 2024 by leila-pujal Loading…
2 of 5 tasks
3
Fix memory usage issue in evaluate_density (#121)
#191 opened Jun 26, 2024 by msricher Loading…
5 tasks done
5
Add profiling capabilities to GBasis
#190 opened Jun 26, 2024 by msricher Loading…
5 tasks done
Add functions for 1rdms and 2-body exchange hole
#165 opened Jan 29, 2024 by sanchezw17 Loading…
1 of 5 tasks
16
Add nuclear gradient functions
#164 opened Jan 24, 2024 by msricher • Draft
1 of 5 tasks
1
Autograd
#153 opened Jan 11, 2024 by RichRick1 Loading…
@FarnazH @Ali-Tehrani
1
Fix linters and installation using editable mode
#151 opened Jan 10, 2024 by Ali-Tehrani Loading…
1 task
9
Add tests for density evaluations low priority Low priority issue
#94 opened Jun 26, 2019 by kimt33 Loading…
5 tasks done
@FarnazH
7
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