v2.0

Various improvements to the code including but not limited to:

• Improved generation of slabs: one function does it all - slabs up to maximum Miller index, one or more specified hkl; it now also supports the frozen-core slab model and saves the created structures to a json file with relevant metadata; has better support for custom VASP input sets
• Additional convergence tools: Fiorentini-Methessel and Boettger surface energies calculated automatically with new electrostatic potential tools added; added parsing of structures and bond lengths for convergence
• Clearer and more intuitive plotting for surface energies
• Expanded tutorials

JOSS release

Various improvements to the code as discussed in the JOSS review process.

Multiprocessing and Python3.7

In this release:

• Multiprocessing is used by default to make slab generation and parsing of large data files faster
• Automated plots are generally neater
• Bugs have been removed from command line tools
• We specify python3.7 is required for future-proofing reasons
• We have updated the way core pymatgen classes are imported, again for future-proofing reasons (see the pymatgen announcement compatibility)

The big one-point-oh

The first proper release of the package, with the following shiny new upgrades:

• automated testing,
• fully functioning command line interface,
• fleshed out docs, and
• reworked and improved tutorials.

First release

First release upon making the repository public! The code is still in development, lacking tests and command line interface which are planned in upcoming releases. Examples should work as expected though and can be used as a template.