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Update simple_polygon_analysis
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tcmoore3 committed Sep 13, 2023
1 parent c3115c7 commit 6fc8ed2
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Showing 2 changed files with 7 additions and 8 deletions.
3 changes: 2 additions & 1 deletion dashboard.py
Original file line number Diff line number Diff line change
Expand Up @@ -31,7 +31,8 @@ def job_title(self, job):
return f"alj_2d: kT={job.statepoint.kT}, " \
f"rho={job.statepoint.density}"
elif (job.statepoint.subproject == 'hard_disk'
or job.statepoint.subproject == 'hard_sphere'):
or job.statepoint.subproject == 'hard_sphere'
or job.statepoint.subproject == 'simple_polygon'):
return f"{job.statepoint.subproject}: rho={job.statepoint.density}"
else:
raise RuntimeError("Unexpected job")
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12 changes: 5 additions & 7 deletions hoomd_validation/simple_polygon.py
Original file line number Diff line number Diff line change
Expand Up @@ -594,13 +594,11 @@ def simple_polygon_compare_modes(*jobs):

print('starting simple_polygon_compare_modes:', jobs[0])

sim_modes = [
'nvt_cpu',
'npt_cpu',
]

if os.path.exists(jobs[0].fn('nvt_gpu_quantities.gsd')):
sim_modes.extend(['nvt_gpu'])
sim_modes = []
for _ensemble in ['nvt', 'npt']:
for _device in ['cpu', 'gpu']:
if jobs[0].isfile(f'{_ensemble}_{_device}_quantities.gsd'):
sim_modes.append(f'{_ensemble}_{_device}')

util._sort_sim_modes(sim_modes)

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