def test_fcc_supercells(): from pylada.crystal.bravais import fcc from pylada.decorations import supercells lattice = fcc() scs = supercells(lattice, list(range(11))) results = [1, 2, 3, 7, 5, 10, 7, 20, 14, 18] for r, s in zip(results, scs.values()): assert r, len(s)
def test_fcc_supercells(): from pylada.crystal.bravais import fcc from pylada.decorations import supercells lattice = fcc() scs = supercells(lattice, list(range(11))) results = [1, 2, 3, 7, 5, 10, 7, 20, 14, 18] for r, s in zip(results, scs.values()): assert r, len(s)
def test_nosyms_supercells(): from pylada.decorations import supercells from pylada.crystal import Structure lattice = Structure([[1.0, 0.2, 0], [0, 0.9, -0.1], [0, 0, 0.8]]) \ .add_atom(0, 0, 0, 'Si') scs = supercells(lattice, list(range(17))) results = [1, 7, 13, 35, 31, 91, 57, 155, 130, 217, 133, 455, 183, 399, 403, 651] for r, s in zip(results, scs.values()): assert r == len(s)
def test_nosyms_supercells(): from pylada.decorations import supercells from pylada.crystal import Structure lattice = Structure([[1.0, 0.2, 0], [0, 0.9, -0.1], [0, 0, 0.8]]) \ .add_atom(0, 0, 0, 'Si') scs = supercells(lattice, list(range(17))) results = [ 1, 7, 13, 35, 31, 91, 57, 155, 130, 217, 133, 455, 183, 399, 403, 651 ] for r, s in zip(results, scs.values()): assert r == len(s)