py2sambvca v1.4.0

py2sambvca Minor Release v1.4.0

Release Highlights

This minor release of py2sambvca adds a new optional parameter to the py2sambvca constructor: radii_table. By passing in a dictionary of atomic symbol abbreviations mapped to atomic radii, you can customize the behavior of Sambvca21. For convenience, the default behavior of py2sambvca is to use the modified bondii radii from the original publication (default), though the original van der walls radii are now also available with the option vdw.

This minor release maintains complete backwards compatibility with all releases of py2sambvca v1.0+

What's Changed

• Make Radii Table Modular via Argument by @JacksonBurns in #27

Full Changelog: v1.3.4...v1.4.0