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])
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