Commit 97bf7281 authored by cmaffeo2's avatar cmaffeo2
Browse files

Add 'arbd' argument to model.simulate()

parent e93e6468
......@@ -88,7 +88,8 @@ def multiresolution_simulation( model, output_name,
backbone_scale=1.0,
oxdna_steps = None,
oxdna_output_period = None,
run_enrg_md = False
run_enrg_md = False,
arbd = None
):
## Round steps up to nearest multiple of output_period, plus 1
......@@ -154,13 +155,13 @@ def multiresolution_simulation( model, output_name,
""" Minimization """
if minimization_steps > 0:
simargs = dict(timestep=200e-6, output_period=minimization_output_period, gpu=gpu)
simargs = dict(timestep=200e-6, output_period=minimization_output_period, gpu=gpu, arbd=arbd)
run_step(num_steps=minimization_steps, simargs=simargs)
model.clear_beads()
model.generate_bead_model( **coarse_model_args )
""" Coarse simulation """
simargs = dict(timestep=100e-6 if coarse_local_twist else 200e-6, output_period=coarse_output_period, gpu=gpu)
simargs = dict(timestep=100e-6 if coarse_local_twist else 200e-6, output_period=coarse_output_period, gpu=gpu, arbd=arbd)
if bond_cutoff > 0 and minimization_steps <= 0:
run_step(num_steps=0.25*coarse_steps, simargs=simargs)
model.clear_beads()
......@@ -170,7 +171,7 @@ def multiresolution_simulation( model, output_name,
run_step(num_steps=coarse_steps, simargs=simargs)
""" Fine simulation """
simargs = dict(timestep=40e-6, output_period=fine_output_period, gpu=gpu)
simargs = dict(timestep=40e-6, output_period=fine_output_period, gpu=gpu, arbd=arbd)
if not fix_linking_number:
model.clear_beads()
model.generate_bead_model( 1, 1, local_twist=True, escapable_twist=True )
......
Supports Markdown
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment