PySCF #2186 MC-PDFT test fix (#71) #72
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MatthewRHermes
commented
Sep 27, 2024
•
MatthewRHermes
commented
- Restore grids of PySCF 2.6.2 for the purpose of matching unittest references.
- Update VHFOpt in LRDF for the ctypes struct changes in pyscf-2.7.
Restore grids of PySCF 2.6.2 for the purpose of matching unittest references
sunqm
approved these changes
Oct 30, 2024
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