def test_false_potcar_hash(self):
    coords = list()
    coords.append([0, 0, 0])
    coords.append([0.75, 0.5, 0.75])
    coords.append([0.75, 0.25, 0.75])
    lattice = Lattice([[3.8401979337, 0.0, 0.0], [1.9200989668, 3.3257101909, 0.0], [0.0, (- 2.2171384943), 3.1355090603]])
    struct = Structure(lattice, ['P', 'Fe', 'O'], coords)
    self.mitparamset.potcar_settings['Fe']['symbol'] = 'Fe_pv'
    self.assertRaises(ValueError, self.mitparamset.get_potcar, struct, check_hash=True)
    self.mitparamset.potcar_settings['Fe']['symbol'] = 'Fe'
def test_false_potcar_hash(self):
    coords = list()
    coords.append([0, 0, 0])
    coords.append([0.75, 0.5, 0.75])
    coords.append([0.75, 0.25, 0.75])
    lattice = Lattice([[3.8401979337, 0.0, 0.0], [1.9200989668, 3.3257101909, 0.0], [0.0, (- 2.2171384943), 3.1355090603]])
    struct = Structure(lattice, ['P', 'Fe', 'O'], coords)
    self.mitparamset.potcar_settings['Fe']['symbol'] = 'Fe_pv'
    self.assertRaises(ValueError, self.mitparamset.get_potcar, struct, check_hash=True)
    self.mitparamset.potcar_settings['Fe']['symbol'] = 'Fe'