# crosslinks = box.bonded_crosslinks(num_links,
# mass,
# cl_kval,
# cl_cutoff,
# cl_epsilon,
# cl_sigma,
# forbidden=['a', 'c'],
# selflinking=5)
t1 = time.time()
print(f"Crosslinking and entangling concluded. Time taken: {t1 - t0}")
for i in box.walk_data():
print(i)
for i in box.crosslink_data():
print(i)
# for i in box.crosslinks_loc:
# print(i)
# SIMULATION --------------------------------------------------------------------------------|
print(box.walkinfo)
print(box.uclinfo)
print(box.bclinfo)
timestep = 0.01
t0 = time.time()
box.simulation.structure("test_structure.in")
t1 = time.time()
print(f"Structure file created.Time taken: {t1 - t0}")
cl_kval,
cl_cutoff,
cl_epsilon,
cl_sigma,
allowed=None,
style='fene',
prob=0.8,
ibonds=2)
t1 = time.time()
print(f"Crosslinking and entangling concluded. Time taken: {t1 - t0}")
for bead in box.walk_data():
print(bead)
for bead in box.crosslink_data():
print(bead)
print(box.walkinfo)
print(box.uclinfo)
print(box.bclinfo)
# SIMULATION --------------------------------------------------------------------------------|
timestep = 0.01
t0 = time.time()
box.simulation.structure("test_structure.in")
t1 = time.time()
print(f"Structure file created.Time taken: {t1 - t0}")
box.simulation.settings("test_lattice.in", comms=1.9)