pyscfad.dft.rks.KohnShamDFT#
- class pyscfad.dft.rks.KohnShamDFT(xc='LDA,VWN')[source]#
Bases:
KohnShamDFTMethods
initialize_grids([mol, dm])Initialize self.grids the first time call get_veff
reset([mol])
Bases: KohnShamDFT
Methods
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Initialize self.grids the first time call get_veff |
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