pyscfad.dft.rks

Classes

KohnShamDFT([xc])
RKS(mol[, xc])	Subclass of pyscf.dft.rks.RKS with traceable attributes.
VXC([vxc, ecoul, exc, vj, vk])

Functions

energy_elec(ks[, dm, h1e, vhf])
get_veff(ks[, mol, dm, dm_last, vhf_last, hermi])
prune_small_rho_grids_(ks, mol, dm, grids)