[pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci
glotzerlab · Nov 8, 2024 · 2354dee · 2354dee
1 parent fbb57e2
commit 2354dee
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Showing 3 changed files with 8 additions and 11 deletions.
diff --git a/hoomd_validation/lj_fluid.py b/hoomd_validation/lj_fluid.py
@@ -491,7 +491,7 @@ def make_mc_simulation(job, device, initial_state, sim_mode, extra_loggables=Non
     mc.shape['A'] = dict(diameter=0.0)
 
     # pair potential
-    epsilon = LJ_PARAMS['epsilon'] # noqa F841
+    epsilon = LJ_PARAMS['epsilon']  # noqa F841
     sigma = LJ_PARAMS['sigma']
     r_on = job.cached_statepoint['r_on']
     r_cut = job.cached_statepoint['r_cut']
@@ -861,9 +861,9 @@ def analyze(*jobs):
                     'hoomd-data/md/compute/ThermodynamicQuantities/potential_energy'
                 ]
             else:
-                energies[sim_mode] = (
-                    log_traj['hoomd-data/hpmc/pair/LennardJones/energy']
-                )
+                energies[sim_mode] = log_traj[
+                    'hoomd-data/hpmc/pair/LennardJones/energy'
+                ]
 
             energies[sim_mode] /= job.cached_statepoint['num_particles']
 
@@ -1185,9 +1185,7 @@ def distribution_analyze(*jobs):
                 )
             else:
                 potential_energy_samples[sim_mode].extend(
-                    list(
-                        log_traj['hoomd-data/hpmc/pair/LennardJones/energy']
-                    )
+                    list(log_traj['hoomd-data/hpmc/pair/LennardJones/energy'])
                 )
 
             if 'md' in sim_mode:

diff --git a/hoomd_validation/lj_union.py b/hoomd_validation/lj_union.py
@@ -905,9 +905,7 @@ def analyze(*jobs):
                     'hoomd-data/md/compute/ThermodynamicQuantities/potential_energy'
                 ]
             else:
-                energies[sim_mode] = (
-                    log_traj['hoomd-data/hpmc/pair/Union/energy']
-                )
+                energies[sim_mode] = log_traj['hoomd-data/hpmc/pair/Union/energy']
 
             energies[sim_mode] /= job.cached_statepoint['num_particles']
 

diff --git a/hoomd_validation/patchy_particle_pressure.py b/hoomd_validation/patchy_particle_pressure.py
@@ -431,7 +431,8 @@ def run_npt_sim(job, device):
 
     # box updates
     boxmc = hoomd.hpmc.update.BoxMC(
-        P=job.cached_statepoint['pressure']*job.cached_statepoint["temperature"], trigger=hoomd.trigger.Periodic(1)
+        P=job.cached_statepoint['pressure'] * job.cached_statepoint['temperature'],
+        trigger=hoomd.trigger.Periodic(1),
     )
     boxmc.volume = dict(weight=1.0, mode='ln', delta=1e-6)