Skip to content

Issues: MDAnalysis/solvation-analysis

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

9 Open 56 Closed
9 Open 56 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Issues list

Disable Pep8Speaks
#104 opened May 7, 2024 by orionarcher
rdf_data not initialized properly when running solute.run() bug Something isn't working
#101 opened Apr 5, 2024 by Caboomi
6
build with pip install -e . incorrectly states version number is v0.1.5 bug Something isn't working
#99 opened Apr 1, 2024 by orionarcher
switch from conda incubator to micromamba action testing
#96 opened Sep 19, 2023 by IAlibay
1
Add action to point to the right RTD link documentation Improvements or additions to documentation
#95 opened Sep 19, 2023 by IAlibay
Include statistics for solvents that aren't participating in solvation bug Something isn't working enhancement New feature or request
#91 opened Aug 17, 2023 by orionarcher
Styling and consistency of documentation could be improved documentation Improvements or additions to documentation
#79 opened Oct 27, 2022 by orionarcher
3 tasks
0.2
@orionarcher
Should we allow custom functions for calculating solvation shells at the RDF step? core discussion enhancement New feature or request
#55 opened Jan 18, 2022 by hmacdope
@hmacdope @orionarcher
5
Add save() and load() method to solution. core enhancement New feature or request
#52 opened Dec 6, 2021 by orionarcher
6
ProTip! Type g i on any issue or pull request to go back to the issue listing page.