cl_sigma = rw_sigma cl_cutoff = rw_cutoff t0 = t1 = 0 t0 = time.time() # ---------------------------------------------------------------------------------------- t1 = time.time() print(f"Crosslinking and entangling concluded. Time taken: {t1 - t0}") total_time = 0 # unbonded crosslinking box.unbonded_crosslinks(100, mass, cl_kval, cl_cutoff, cl_epsilon, cl_sigma, allowed_types=None, style='fene', prob=0.8, ibonds=2) for i in range(nums): t0 = time.time() # use cell_num to control where walk starts box.random_walk(size, rw_kval, rw_cutoff, rw_epsilon, rw_sigma, bead_types=types, termination="retract",
rw_epsilon = 0.05 rw_sigma = 0.3 copolymer_frac = 10 # the next ones determine the bonding of the crosslinks num_links = 1000 cl_kval = 1.1 * rw_kval cl_epsilon = 1.1 * rw_epsilon cl_sigma = 1.1 * rw_sigma cl_cutoff = 1.1 * rw_cutoff box.unbonded_crosslinks( 'd', # typeid num_links, cl_kval, cl_cutoff, cl_epsilon, cl_sigma, style='fene', allowed=['a', 'b']) copolymer = [] for i in range(copolymer_frac): copolymer.append('a') for i in range(copolymer_frac): copolymer.append('b') random_copolymer = [] total_time = 0 t0 = time.time()