This version introduces the following changes:
- For schemes that use a molecular grid (rather than atomic grids), such as Hirshfeld, Hirshfeld-I, and Becke, density properties are now computed only once, since the molecular grid is shared across all atoms. This makes these schemes up to
$N_{atoms}$ faster than before. - Added an option (available in both the API and CLI) that allows users to choose the desired grid granularity:
coarse,medium,fine,veryfine,ultrafine,insane. - Miscellaneous improvements and optimisations.