1.0.1

• Minor addition to 1.0 by adding proper installation instructions.

1.0

Completely revamped version of the ASE_VASP_automation software.
Most prominent changes:

• The code was generalized and is now structured such that the script files describe a set of tasks that should be executed. Tasks are defined within .json files. This should make it easier to define new workflows
• Settings files can now be loaded for different workflows, which should make it easier to adapt the code to different use-cases
• The amount of redundant code has been reduced
• The example files now contain entire workflows - here for instance the energy minimization of two structures and the computation of the SFE from these values

The repo is however still under active development, so the number of provided use-cases is still low and the structure might be changed quite a bit in the future.

v0.9 - Beta release

This is the first release. It should work well, but it is limited in versatility. Please report any issues you might find with the code.