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jan-janssen committed Nov 13, 2023
1 parent d8c6cf0 commit 2aa3bee
Showing 1 changed file with 1 addition and 3 deletions.
4 changes: 1 addition & 3 deletions atomistics/calculators/lammps.py
Original file line number Diff line number Diff line change
Expand Up @@ -67,9 +67,7 @@ def evaluate_with_lammps(
diable_log_file=diable_log_file,
)
results_dict = evaluate_with_lammps_library(
task_dict=task_dict,
potential_dataframe=potential_dataframe,
lmp=lmp
task_dict=task_dict, potential_dataframe=potential_dataframe, lmp=lmp
)
lmp.close()
return results_dict
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