-
Is there an example of Fidimag about some atomistic simulation? I could not find information on that.
Regards
ghost updated
4 years ago
-
**Submitting author:** @JohannesBuchner (Johannes Buchner)
**Repository:** https://github.com/JohannesBuchner/UltraNest/
**Version:** v3.2.0
**Editor:** @fboehm
**Reviewer:** @mattpitkin, @ziatdinovma…
-
Hey guys. In the vanilla CGnet paper, the models were averaged over 5-folds during for each hyperparameter determined through cross validation. These average models were then used to generate CG simul…
-
**Submitting author:** @flokno (Florian Knoop)
**Repository:** https://gitlab.com/vibes-developers/vibes
**Version:** v1.0.2
**Editor:** @jgostick
**Reviewers:** @keipertk, @ajjackson
**Archive:**…
-
At the very last minute it has occurred to me that we should submit an abstract about HyperSpy to the Scipy conference. I've asked the current two main active contributors, @vidartf and @to266, if the…
-
Dear schnetpack developers,
is it planned to also implement the calculation of the stress tensor in schnetpack? This would enable to perform NPT simulations.
Best
Johannes
-
WORKSHOP
"WORKFLOWS FOR ATOMISTIC SIMULATION"
SCOPE
It is increasingly common that atomistic simulations such as molecular
dynamics or structural relaxation are used as engines that drive mo…
-
## Use Case Update
Aspect | Detail
------------ | -------------
Summary | Documentation missing for the Molecular Simulation use cases
Expert | @adamhospital @aurel-l
### Tasks
…
-
## New Use Case
Aspect | Detail
------------ | -------------
Summary | C1997 (Platforms providing web-access to molecular level tools for guiding systems level modelling)
Usecase Group | Molec…
-
**Submitting author:** @magnusrahm (Magnus Rahm)
**Repository:** https://gitlab.com/materials-modeling/wulffpack
**Version:** v1.1
**Editor:** @drvinceknight
**Reviewer:** @EduPH, @mzszym, @corybrunso…