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Don't discard errors in test
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WardLT committed Nov 7, 2023
1 parent 05000d3 commit 602df60
Showing 1 changed file with 4 additions and 8 deletions.
12 changes: 4 additions & 8 deletions tests/simulation/test_lammps.py
Original file line number Diff line number Diff line change
Expand Up @@ -9,11 +9,7 @@ def test_lammps_runner(cif_files):
)

for test_file in cif_files.glob("*.cif"):
try:
lmp_path = lmprunner.prep_molecular_dynamics_single(test_file,
timesteps=1000,
report_frequency=100,
stepsize_fs=0.5)
logging.info(lmp_path)
except Exception as e:
logging.error(e)
lmp_path = lmprunner.prep_molecular_dynamics_single(test_file,
timesteps=1000,
report_frequency=100,
stepsize_fs=0.5)

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