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PV contributions to energy - #201

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MatthewRHermes merged 5 commits into
pyscf:masterfrom
juanjoaucar:pv-energy
Jul 27, 2026
Merged

PV contributions to energy#201
MatthewRHermes merged 5 commits into
pyscf:masterfrom
juanjoaucar:pv-energy

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@juanjoaucar

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Allow PV energy contributions to be computed from density matrices

@juanjoaucar

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Dear PySCF developers,

I don't understand why Lint fails, in files that I didn't modify.

@MatthewRHermes

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Dear PySCF developers,

I don't understand why Lint fails, in files that I didn't modify.

recent ruff update is now flagging a million new things. it's not your fault.

Comment thread pyscf/pv/energy.py
@MatthewRHermes
MatthewRHermes merged commit a193de5 into pyscf:master Jul 27, 2026
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@juanjoaucar
juanjoaucar deleted the pv-energy branch July 27, 2026 18:30
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3 participants