Skip to content

Releases: matty-jones/MorphCT

MorphCT v3.1

10 Dec 19:23
Compare
Choose a tag to compare

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

08 May 16:55
Compare
Choose a tag to compare

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

24 Apr 16:50
Compare
Choose a tag to compare

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.