def build_monolayer(chain_length, n_molecules, **kwargs): from mbuild.examples import AlkaneMonolayer pattern = mb.Random2DPattern(n_molecules) monolayer = AlkaneMonolayer(pattern, tile_x=1, tile_y=1, chain_length=chain_length) monolayer.name = 'alkane_n-{}_l-{}'.format(n_molecules, chain_length) mb.translate(monolayer, [0, 0, 2]) return monolayer
def build_monolayer(chain_length, n_molecules, **kwargs): from mbuild.examples import AlkaneMonolayer pattern = mb.Random2DPattern(n_molecules) monolayer = AlkaneMonolayer(pattern, tile_x=1, tile_y=1, chain_length=chain_length) monolayer.name = 'alkane_n-{}_l-{}'.format(n_molecules, chain_length) mb.translate(monolayer, [0, 0, 2]) box = monolayer.boundingbox monolayer.periodicity += np.array([0, 0, 5 * box.lengths[2]]) return monolayer
def build_monolayer(chain_length, n_molecules, **kwargs): from mbuild.examples import AlkaneMonolayer pattern = mb.Random2DPattern(n_molecules) monolayer = AlkaneMonolayer(pattern, tile_x=1, tile_y=1, chain_length=chain_length) monolayer.name = 'alkane_n-{}_l-{}'.format(n_molecules, chain_length) mb.translate(monolayer, [0, 0, 2]) box = monolayer.boundingbox monolayer.periodicity += np.array([0, 0, 5 * box.lengths[2]]) return monolayer