From cdec387caabcabb41733201cf9b7f70519b38265 Mon Sep 17 00:00:00 2001 From: Greg Jones Date: Tue, 20 Feb 2024 17:19:56 -0500 Subject: [PATCH] Rename variable. --- pysisyphus/calculators/CFOUR.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/pysisyphus/calculators/CFOUR.py b/pysisyphus/calculators/CFOUR.py index 7d87bc33e..01b85ee44 100644 --- a/pysisyphus/calculators/CFOUR.py +++ b/pysisyphus/calculators/CFOUR.py @@ -55,9 +55,9 @@ def read_cfour_geom(out_fn): if not mobj: continue geom.append(mobj.groups()) - geom_3d = np.array(geom, dtype=float) + coords_3d = np.array(geom, dtype=float) - return geom_3d + return coords_3d def rotate_gradient(gradient, coords_pysis_frame_3d, coords_comp_frame_3d):