v0.4.1

Adds a new function for nearest neighbor extraction/clustering,
exatomic.algorithms.neighbors.periodic_nearest_neighbors_by_atom_large. This function acts like the existing function but its maximum memory usage is very much reduced.

First full release of exatomic!

Fully features orbital visualization and MD cluster extraction. Examples included in the docs!

v0.3.6

Fixed PCF integration

v0.3.5

Setting _traits_need_update is now done correctly. Saving atom table with labels now supported.

v0.3.4

Remove debug printing and diffusion and PCF functions now respect all arguments.

v0.3.3

Minor release with improved syntax for XYZ editors and neighbor searches

v0.3.2

Pre-release with conda builds for osx, win, and linux

v0.3.1 - bug fixes to orbital viewing

Pre-alpha!

v0.3.0

A unified platform for quantum chemists

v0.2.14

Long live the alpha