Mcfun

Latest version: v0.2.5

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0.2.5

This release modifies the _eval_xc_sf() to add the third-order derivatives of functionals, which supports the sftda_grad module in pyscf-forge package in the future. The module sftda_grad aims to calculate the analytical gradients of the spin-flip excited states.

0.2.3

0.2.2

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