Kinetica v0.6.0
This is a big update - while there shouldn't be any breaking changes to Kinetica, the KineticaASE extension package is now redundant as it has been rolled into this package. This has been done ahead of the planned extension to on-surface reactions, which will make use of much of the existing ASE infrastructure and add much more. The ASENEBCalculator is planned to be the main kinetic interface with these new systems for now, so it will also need hefty updates; combining the two packages so they can be worked on simultaneously makes sense.
Merged pull requests:
- Added tracking and output of exploration levels (#33) (@joegilkes)
- Move KineticaASE.jl into main package (#34) (@joegilkes)
Contributors
joegilkes