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pyscf-forge
pyscf-forge is a staging ground for code that may be suitable for pyscf-core
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PySCF #2186 MC-PDFT test fix (#71)
#72
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MatthewRHermes
closed
1 month ago
MatthewRHermes
commented
2 months ago
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.