Releases: chrisjsewell/ase-notebook
Releases · chrisjsewell/ase-notebook
Improve Bond Visualisation
This release introduces additional configuration/functionality for visualising bonds:
bond_radii_scale
: Factor to scale atomic radii by, when computing bonds (via overlapping radii)bond_array_name
: The name of a boolean array on thease.Atoms
, specifying which atoms that bonds should be drawn forbond_pairs_filter
: A list of bond element pairs to filter bybond_color_by
: How to color bond: 'atoms' (same as connecting atoms) or 'length'bond_colormap
: The matplotlib colormap to use with ``bond_color_by='length'`bond_colormap_range
: The matplotlib colormap normalisation to use withbond_color_by='length'
Also, document testing was moved to CircleCI and numpy pinning was bumped to 1.19
Improve documentation
Merge pull request #11 from chrisjsewell/develop Release v0.3.1
First pypi release
Merge pull request #3 from chrisjsewell/develop Release v0.3.0