Esempi in Python per MGGA.set_grid_descriptor

Esempio n. 1

File: vdw.py Progetto: thonmaker/gpaw

    def set_grid_descriptor(self, gd):
        if (self.gd is not None and (self.gd.N_c == gd.N_c).all()
                and (self.gd.pbc_c == gd.pbc_c).all()
                and (self.gd.cell_cv == gd.cell_cv).all()):
            return

        MGGA.set_grid_descriptor(self, gd)
        FFTVDWFunctional.set_grid_descriptor(self, gd)

Esempio n. 2

File: vdw.py Progetto: ryancoleman/lotsofcoresbook2code

    def set_grid_descriptor(self, gd):
        if (self.gd is not None and
            (self.gd.N_c == gd.N_c).all() and
            (self.gd.pbc_c == gd.pbc_c).all() and
            (self.gd.cell_cv == gd.cell_cv).all()):
            return

        MGGA.set_grid_descriptor(self, gd)
        FFTVDWFunctional.set_grid_descriptor(self, gd)