Python MGGA.initialize Examples

Example #1

File: tb09.py Project: Huaguiyuan/gpawDFT

 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)

Example #2

File: vdw.py Project: thonmaker/gpaw

 def initialize(self, *args):
     MGGA.initialize(self, *args)
     FFTVDWFunctional.initialize(self, *args)

Example #3

File: vdw.py Project: ryancoleman/lotsofcoresbook2code

 def initialize(self, *args):
     MGGA.initialize(self, *args)
     FFTVDWFunctional.initialize(self, *args)