From 609f105ffe7dc639d528ead69edd2107d8daf20d Mon Sep 17 00:00:00 2001 From: k-harris27 <120191386+k-harris27@users.noreply.github.com> Date: Fri, 28 Feb 2025 13:37:59 +0000 Subject: [PATCH] Use setdefault for dictionary defaults Co-authored-by: Jacob Wilkins <46597752+oerc0122@users.noreply.github.com> --- janus_core/cli/geomopt.py | 7 ++----- 1 file changed, 2 insertions(+), 5 deletions(-) diff --git a/janus_core/cli/geomopt.py b/janus_core/cli/geomopt.py index d92e9e4b..4adb89bd 100644 --- a/janus_core/cli/geomopt.py +++ b/janus_core/cli/geomopt.py @@ -44,11 +44,8 @@ def _set_minimize_kwargs( Scalar pressure when optimizing cell geometry, in GPa. Passed to the filter function if either `opt_cell_lengths` or `opt_cell_fully` is True. """ - if "opt_kwargs" not in minimize_kwargs: - minimize_kwargs["opt_kwargs"] = {} - - if "traj_kwargs" not in minimize_kwargs: - minimize_kwargs["traj_kwargs"] = {} + minimize_kwargs.setdefault("opt_kwargs", {}) + minimize_kwargs.setdefault("traj_kwargs", {}) # Check hydrostatic_strain and scalar pressure not duplicated if "filter_kwargs" in minimize_kwargs: