From bbead26ab52da07c0b4113e4e4277af495a1695d Mon Sep 17 00:00:00 2001 From: Michele Ceriotti Date: Tue, 19 Mar 2024 15:49:29 +0100 Subject: [PATCH] Thou shall not upset the linter --- python/examples/colors.py | 2 +- python/examples/shapes.py | 2 +- python/examples/structure_map.py | 6 +++--- 3 files changed, 5 insertions(+), 5 deletions(-) diff --git a/python/examples/colors.py b/python/examples/colors.py index fe915c759..c77b3b8f3 100644 --- a/python/examples/colors.py +++ b/python/examples/colors.py @@ -23,7 +23,7 @@ for frame in frames: # center in the box - frame.positions += frame.cell.diagonal()*0.5 + frame.positions += frame.cell.diagonal() * 0.5 for axx, ayy, azz, axy, axz, ayz in zip( frame.arrays["axx"], frame.arrays["ayy"], diff --git a/python/examples/shapes.py b/python/examples/shapes.py index 2b25f3174..a7e871fd8 100644 --- a/python/examples/shapes.py +++ b/python/examples/shapes.py @@ -23,7 +23,7 @@ # converts the arrays from the format they are stored in to an array # format that can be processed by the ASE utilities for a in frames: - a.positions += a.cell.diagonal()*0.5 + a.positions += a.cell.diagonal() * 0.5 a.arrays["alpha"] = np.array( [ [axx, ayy, azz, axy, axz, ayz] diff --git a/python/examples/structure_map.py b/python/examples/structure_map.py index 628518eda..167d50b40 100644 --- a/python/examples/structure_map.py +++ b/python/examples/structure_map.py @@ -21,10 +21,10 @@ # load structures frames = ase.io.read("data/trajectory.xyz", ":") -# load the SOAP-PCA descriptors. chemiscope does not provide -# analysis routines, but you can look up for instance +# load the SOAP-PCA descriptors. chemiscope does not provide +# analysis routines, but you can look up for instance # scikit-matter as a package to do dimensionality reduction -# analyses. +# analyses. pca_atom = np.loadtxt("data/trajectory-pca_atom.dat") pca_struc = np.loadtxt("data/trajectory-pca_structure.dat")