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Concave particle pressure validation #61

Merged
merged 14 commits into from
Sep 15, 2023
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: 10 additions & 2 deletions hoomd_validation/init.py
Original file line number Diff line number Diff line change
Expand Up @@ -13,8 +13,16 @@
import lj_union
import hard_disk
import hard_sphere

subprojects = [alj_2d, lj_fluid, lj_union, hard_disk, hard_sphere]
import simple_polygon

subprojects = [
alj_2d,
lj_fluid,
lj_union,
hard_disk,
hard_sphere,
simple_polygon,
]

project = signac.init_project(path=config.project_root)

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2 changes: 2 additions & 0 deletions hoomd_validation/project.py
Original file line number Diff line number Diff line change
Expand Up @@ -13,6 +13,7 @@
import lj_union
import hard_disk
import hard_sphere
import simple_polygon

# use srun on delta (mpiexec fails on multiple nodes)
flow.environments.xsede.DeltaEnvironment.mpi_cmd = "srun"
Expand All @@ -23,6 +24,7 @@
"lj_union",
"hard_disk",
"hard_sphere",
"simple_polygon",
]

if __name__ == "__main__":
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