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()