Moving examples for PDFT gradients from PySCF-forge to PySCF #2995
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sunqm
approved these changes
Oct 12, 2025
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The code to compute nuclear gradients for PDFT methods is now in PySCF, but the examples were still in PySCF-forge. This PR moves those examples from PySCF-forge into PySCF.
@MatthewRHermes