Skip to content

Commit

Permalink
Thou shall not upset the linter
Browse files Browse the repository at this point in the history
  • Loading branch information
ceriottm committed Mar 19, 2024
1 parent cdc4013 commit bbead26
Show file tree
Hide file tree
Showing 3 changed files with 5 additions and 5 deletions.
2 changes: 1 addition & 1 deletion python/examples/colors.py
Original file line number Diff line number Diff line change
Expand Up @@ -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"],
Expand Down
2 changes: 1 addition & 1 deletion python/examples/shapes.py
Original file line number Diff line number Diff line change
Expand Up @@ -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]
Expand Down
6 changes: 3 additions & 3 deletions python/examples/structure_map.py
Original file line number Diff line number Diff line change
Expand Up @@ -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")

Expand Down

0 comments on commit bbead26

Please sign in to comment.