Releases: Marcello-Sega/pytim
Releases · Marcello-Sega/pytim
v1.0.1: Update requirements, minor fixes
Minor fixes
v1.0.0
Production/Stable
* automatic exclusion of atoms with zero radius from surface analysis
(this creates artefacts especially with the triangulation in GITIM)
* updated documentation
* Chacon-Tarazona support removed (contact developers to reintroduce it if needed)
* ready for integration in MDAKits (see https://github.com/MDAnalysis/MDAKits)
* version bump to 1.0.0
v0.9.3
- adds extended contact angle observable
- minor fixes
v0.9.2
Minor fixes
v0.9.0
- fixes for MDAnalysis 2.0.0
- switches to circleci
more in detail:
- fix missing attributes
- follow convention for numpy dtype
- update interface for query_ball_point
- fix in example calculation of profile
- small python/numpy fixes
- exclude openmm from tests for the time being
- fix precision issue in orientation test
v0.5.2
some bugfixes, faster Delaunay triangulation using pytetgen
v0.4.0
- added Willard-Chandler method
- added Chacon-Tarazona method
- general code cleanup
v0.3.0
Fully working GITIM implementation
v0.2.0
Basic functionality