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Making the linter happy.
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Satish Kamath committed Jun 19, 2024
1 parent 7c6f347 commit e88ff15
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Showing 2 changed files with 2 additions and 4 deletions.
3 changes: 1 addition & 2 deletions eessi/testsuite/tests/apps/espresso/espresso.py
Original file line number Diff line number Diff line change
Expand Up @@ -93,8 +93,7 @@ def set_executable_opts(self):
# By default we run weak scaling since the strong scaling sizes need to change based on max node size and a
# corresponding min node size has to be chozen. For this test the default values embedded in the lj.py are
# good enough. Otherwise custom executable options can be passed anyways.
self.executable = 'python3 lj.py' # Updating the executable.

self.executable = 'python3 lj.py' # Updating the executable.

@run_after('setup')
def set_num_tasks_per_node(self):
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3 changes: 1 addition & 2 deletions eessi/testsuite/tests/apps/espresso/src/lj.py
Original file line number Diff line number Diff line change
Expand Up @@ -91,8 +91,7 @@ def get_normalized_values_per_atom(system):
np.pi * (lj_sig / 2.)**3 / args.volume_fraction
# box_v = (x * n) * x * x for a column
system.box_l = float((box_v)**(1. / 3.)) * node_grid
assert np.abs(n_part * 4. / 3. * np.pi * (lj_sig / 2.)**3 /
np.prod(system.box_l) - args.volume_fraction) < 0.1
assert np.abs(n_part * 4. / 3. * np.pi * (lj_sig / 2.)**3 / np.prod(system.box_l) - args.volume_fraction) < 0.1

system.non_bonded_inter[0, 0].lennard_jones.set_params(
epsilon=lj_eps, sigma=lj_sig, cutoff=lj_cut, shift="auto")
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