from susmost import * from susmost.transferm import average_props lt = load_lattice_task('TPA') lt.set_ads_energy('TPA', 18.0) lt.set_property('coverage', {'TPA':3.0} ) lt = joined_cells_lattice_task(lt, (3,4)) # use 3x4 surface suprecell per # single lattice site k_B = 0.0083 # Boltzmann constant T = 300 beta = 1./(k_B * T) N = 2 # width of the system modelled by transfer matrix in lattice sites, # total width in original unit cells equals 2x4 = 8 W = make_tensor(lt, beta, scheme = "generic") # create tensor network model representation tm_solution = solve_TM(W, N) coverage_per_TM_state = average_props(lt.states, N, 'coverage', beta) coverage = sum(tm_solution.probs * coverage_per_TM_state) print ("Coverage =", coverage)