Releases: matty-jones/MorphCT
MorphCT v3.1
Many quality-of-life improvements, issue resolutions, and bug fixes including but not limited to: the ability to write ORCA jobs to a RAM disk for 30x faster calculations, significantly more unit tests to increase code coverage to 75%, full testing the device simulations, better python formatting, and migration from Coveralls to Codecov.io.
MorphCT v3.0
MorphCT codebase brought up to PEP8 standard (with line limit of 120 characters) and refactored to work as a package.
Also added extensive unit tests to the pipeline (through pytest) and added continuous integration support using Shipable and Coveralls.
MorphCT v2.2
The final release of MorphCT before the package refactor to improve ease-of-use and make the code conform to PEP8.
This release contains all previous functionality, along with Voronoi chromophore neighbour calculations, variable range hopping, and fixes for mixed molecular systems.