Update interface for gradient for PySCF 2.4 #52
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Update grad interface due to api changes in pyscf-2.4
awvwgk
reviewed
Jan 1, 2024
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## main #52 +/- ##
=======================================
Coverage 48.63% 48.63%
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Files 34 34
Lines 3707 3707
Branches 1518 1518
=======================================
Hits 1803 1803
Misses 1207 1207
Partials 697 697 ☔ View full report in Codecov by Sentry. |
No, this change is only compatible with PySCF 2.4 |
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Update grad interface due to api changes in pyscf-2.4. See also issue pyscf/pyscf#1986