v0.3.7

add bonding graph inference from Cartesian atoms

v0.3.6

fixes bug that caused empty bond graph edge attribute dictionaries

v0.3.5

Docstring fix (#103)

* fix infer_bonds! docstring

* docstring fix

v0.3.4

Tweaks and fixes for bond angle calculations, symmetry rules, and unit cell reduction

v0.3.3

Some bug fixes and minor changes to improve the bond vector, Python dependency, and primitive cell features.

v0.3.2

New Features

• view_crystal : use Blink, Pluto, or Jupyter to render a crystal in an interactive GUI
• calculate_bond_vectors! : determines Cartesian vectors between bonded atoms (included in infer_bonds!)
• get_bond_vector : retrieves the vector between two atoms
• clear_vectors! : removes all vector annotations (included in remove_bonds!)
• bond_angle : calculates the angle between two adjacent bonds
• bond_distance : retrieves the distance annotation for an edge (without requiring using MetaGraphs)

v0.3.1

Adds utility for setting data paths throughout the Xtals ecosystem of packages.

v0.3.0

Release v3 (#82)

* include_zero_charges=true; tests fail

* fix symmetry rule application to charges

* fix codecov coverage

* test data

* release version v0.3.0

v0.2.0

improved bonds

Initial release

Initial release of Xtals.jl v0.1