v0.1.1

• enable scipy optimizers, like bfgs, for occupation optimization (ex 07)
• provide mo_occ directly (ex 08)

v0.1

An implementation of Natural-orbital functional (a variation of RDMFT) based on PySCF.

Currently only PNOF5 is supported and one subspace can only contain 2 orbitals, which is identical to GVB.

Features: Second order GVB and DF-GVB.