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5 Pull requests merged by 5 people
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[FEATURE TRANSFER] Transfer MC-PDFT from PySCF-Forge (1/2)
#2898 merged
Jul 20, 2025 -
Molecular ADC for electronic excitations (EE-ADC)
#2893 merged
Jul 20, 2025 -
Copy mol.stdout over during conc_mol()
#2900 merged
Jul 20, 2025 -
Fix absolute value overlap
#2904 merged
Jul 20, 2025 -
Fix bse ECP interface (fix #2880)
#2895 merged
Jul 14, 2025
3 Pull requests opened by 1 person
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Analytical gradients for DFT+U methods
#2899 opened
Jul 16, 2025 -
Fix a bug in KUKS+U linear-response U method
#2901 opened
Jul 17, 2025 -
Lattice sum range check
#2903 opened
Jul 18, 2025
2 Issues closed by 1 person
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Overwrite _eri attribute of scf object with 2e integrals with broken spin symmetry
#2902 closed
Jul 20, 2025 -
[BUG REPORT] ecp from bse interface seems incorrect
#2880 closed
Jul 14, 2025
1 Issue opened by 1 person
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[UNEXPECTED BEHAVIOR] PBC Gamma-point Geometry Optimization
#2896 opened
Jul 14, 2025
3 Unresolved conversations
Sometimes conversations happen on old items that aren’t yet closed. Here is a list of all the Issues and Pull Requests with unresolved conversations.
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[UNEXPECTED BEHAVIOR] PySCF silently accepts incomplete user-defined basis sets
#2894 commented on
Jul 14, 2025 • 0 new comments -
Release 2.10
#2889 commented on
Jul 15, 2025 • 0 new comments -
Multigrid API updates
#2890 commented on
Jul 20, 2025 • 0 new comments