pyscfad.dft.rks.KohnShamDFT#

class pyscfad.dft.rks.KohnShamDFT(xc='LDA,VWN')[source]#

Bases: KohnShamDFT

Methods

do_nlc()

Check if the object needs to do nlc calculations

initialize_grids([mol, dm])

Initialize self.grids the first time call get_veff

reset([mol])