Exemplo n.º 1
0
def make_simple_cubic_lattice(symbol, a):
    cell = graingen.CubicUnitCell(a)
    node = graingen.Node((0.0, 0.0, 0.0), [(symbol, 0.0, 0.0, 0.0)])
    return graingen.CrystalLattice(cell, [node])
Exemplo n.º 2
0
def make_lattice(cell, node_pos, node_atoms):
    nodes = [graingen.Node(i, node_atoms) for i in node_pos]
    lattice = graingen.CrystalLattice(cell, nodes)
    return lattice