Releases: jochym/Elastic
Switch to new spglib api
Maintenance: include small post-release tweaks
Merge pull request #69 from jochym/hotfix Fix default properties arg when nothing passed
Bugfix: Fixed matrices for hexagonal and tetragonal structs
Additionally, a new build framework and api updates ware implemented.
Maintenance release
This is a maintenance release to force x.y.z.build versioning numbers and update zenodo DOI links in the docs.
5.0 - API incompatible release.
The new 5.0 version is API incompatible with the previous versions. It provides a new command line utility as the main user interface to the package - which hopefully will broaden the user base byond python users.
The new version also changes API of the library from mix-in class to the set of simple functions providing functionality of the module. The workflow of the package was also changed to prepare data - calculate - post-process style, which is better suited to serious research work.
Last release of the 4.x series
This is the last release of the legacy 4.x software. The next series will be API incompatible with this code and will include a CLI tool for doing calculations. This is a maintenance release for those who cannot upgrade. Still you better upgrade - this will not be supported for much longer and the new API is much better. And you do not need to know python to use it!
Add support for non-collinear vasp binary
v4.0.18 Add support for non-collinear vasp binnary.
TravisCI & Conda testing/deploynment + Py2/3 porting.
v4.0.17 Clean up tests dir.
Change file open patterns to more robust "with open as" pattern.
v4.0.15.4 Change open close pattern to with open as f pattern.
hot-fix for small coding mistakes
v4.0.15.3 Replace hand-made context menager with contextlib implementation (yie…