Skip to content

Pull requests: Colvars/colvars

New pull request New
15 Open 340 Closed
15 Open 340 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
Reviews
Filter by reviews
No reviews Review required Approved review Changes requested
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

Bias-exchange metadynamics implementation NAMD script_API Control Colvars from scripts
#734 opened Oct 18, 2024 by giacomofiorin • Draft
WIP: Custom grids for all biases
#733 opened Oct 18, 2024 by giacomofiorin • Draft
Prepare for the change of the NAMD reduction interface NAMD
#732 opened Oct 17, 2024 by HanatoK • Draft
1
Improve detection of hard/mathematical boundaries
#731 opened Oct 17, 2024 by giacomofiorin Loading…
Optimize the fit gradients
#729 opened Oct 15, 2024 by HanatoK Loading…
4
Ability to define custom grid in ABF biases
#710 opened Aug 30, 2024 by jhenin Loading…
3 tasks done
3
[RFC] More band-aid fixes to Colvars
#700 opened Jun 29, 2024 by HanatoK • Draft
1 task done
21
Create abf::setup_output() for consistency
#687 opened Apr 12, 2024 by jhenin • Draft
1
Protein-specific coordinates based on index groups GROMACS
#666 opened Feb 27, 2024 by jhenin • Draft
2 of 4 tasks
2
Lambda-ABF implementation for the NAMD interface
#649 opened Jan 19, 2024 by jhenin • Draft
1 of 2 tasks
7
Allow reusing computation and data between CVC objects optimization
#644 opened Dec 19, 2023 by giacomofiorin • Draft
1 of 3 tasks
15
Gmx no cv config test GROMACS testing Only affects CI; not listed in outside PRs
#627 opened Nov 24, 2023 by jhenin • Draft
enable use of CVs defined by PyTorch neural network models
#570 opened Aug 28, 2023 by zwpku Loading…
70
Enable CTest on Windows builds
#533 opened May 3, 2023 by giacomofiorin • Draft
Meta reflection
#525 opened Apr 17, 2023 by fabsugar • Draft
5
ProTip! Find all pull requests that aren't related to any open issues with -linked:issue.