Exemplo n.º 1
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 def test_new_with_decorators(self):
     """Testing AbinitInput.new_with_decorators."""
     spinor_deco = ideco.SpinDecorator("spinor")
     smearing_deco = ideco.SmearingDecorator("nosmearing")
     new_inp = self.si_ebands.new_with_decorators(spinor_deco)
     new_inp = self.si_ebands.new_with_decorators(
         [spinor_deco, smearing_deco])
Exemplo n.º 2
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    def test_smearing_decorator(self):
        """Testing electronic smearing decorator."""
        smearing_deco = ideco.SmearingDecorator("fermi_dirac:0.1 eV")
        self.assertMSONable(smearing_deco)

        new_inp = smearing_deco(self.si_ebands)
        self.validate_inp(new_inp)
Exemplo n.º 3
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    def test_smearing_decorator(self):
        """Testing electronic smearing decorator."""
        smearing_deco = ideco.SmearingDecorator("nosmearing")
        self.assertPMGSONable(smearing_deco)

        new_inp = smearing_deco(self.si_ebands)
        self.validate_inp(new_inp)