Esempio n. 1
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 def initialize(self, dens, ham, wfs, occ):
     MGGA.initialize(self, dens, ham, wfs, occ)
     self.kernel.world = wfs.world
     self.kernel.gd = dens.finegd
     self.kernel.lapl = Laplace(dens.finegd)
Esempio n. 2
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 def initialize(self, *args):
     MGGA.initialize(self, *args)
     FFTVDWFunctional.initialize(self, *args)
Esempio n. 3
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 def initialize(self, *args):
     MGGA.initialize(self, *args)
     FFTVDWFunctional.initialize(self, *args)