Release/1.1 - Githubissues

jdrusso / msm_we

History-augmented Markov analysis of weighted ensemble trajectories.

https://msm-we.readthedocs.io

MIT License

7 stars 7 forks source link

Closed jdrusso closed 2 years ago

jdrusso commented 2 years ago

Added:

Adaptive FPT calculation
New convenience plotting functions
Better compatibility when block-validation fails
Patch to inverse iteration to increase default number of iterations for improved numerical stability
Updated documentation