Skip to content

Pull requests: Colvars/colvars

New pull request New
24 Open 452 Closed
24 Open 452 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
Assigned to nobody Loading
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

WIP: Integrate support for GlobalMaster and CUDAGlobalMaster NAMD
#914 opened Feb 6, 2026 by giacomofiorin • Draft
[RFC] More optimization attempts for self coordination number
#913 opened Feb 6, 2026 by HanatoK • Draft
3
colvars_grid improvements
#912 opened Feb 3, 2026 by jhenin • Draft
1
Simplify and optimize coordination numbers optimization
#909 opened Jan 21, 2026 by giacomofiorin Loading…
4 tasks done
1
17
ABF using kernelized gradient grid
#905 opened Jan 12, 2026 by jhenin • Draft
Extended dynamics for harmonic restraints
#900 opened Dec 14, 2025 by fhh2626 Loading…
feat!: mark the total forces invalid for startup steps
#899 opened Dec 10, 2025 by HanatoK • Draft
4
build: add HIP support
#894 opened Nov 25, 2025 by HanatoK • Draft
Refactor: replace static colvarmodule with class member
#886 opened Nov 18, 2025 by jhenin Loading…
14
Support self-hosted GitHub runners testing Only affects CI; not listed in outside PRs
#882 opened Nov 13, 2025 by giacomofiorin • Draft
Weighted poisson integration
#872 opened Oct 23, 2025 by jhenin Loading…
5 tasks done
30
Deprecate "enableFitGradients no" testing Only affects CI; not listed in outside PRs
#869 opened Oct 17, 2025 by HanatoK Loading…
4 tasks
7
Fixes suggested by clang-tidy
#867 opened Oct 13, 2025 by jhenin • Draft
1
Add clang-tidy CI workflow testing Only affects CI; not listed in outside PRs
#859 opened Sep 9, 2025 by giacomofiorin • Draft
8
Loop over replicas when computing well-tempered metadynamics scaling factor bugfix To be used only in PRs
#820 opened Jul 10, 2025 by giacomofiorin Loading…
1
6
Auto-update Dashboard from repo
#805 opened May 23, 2025 by jhenin • Draft
3 of 7 tasks
1
Support dynamic communication of atom buffers
#789 opened Apr 15, 2025 by giacomofiorin • Draft
17
Support full initialization of volumetric maps within Colvars NAMD VMD
#737 opened Oct 23, 2024 by giacomofiorin • Draft
@giacomofiorin
4
Bias-exchange metadynamics implementation NAMD script_API Control Colvars from scripts
#734 opened Oct 18, 2024 by giacomofiorin • Draft
[RFC] Work towards reusable CVCs
#700 opened Jun 29, 2024 by HanatoK • Draft
1 task done
39
Create abf::setup_output() for consistency
#687 opened Apr 12, 2024 by jhenin • Draft
1
Allow reusing computation and data between CVC objects optimization
#644 opened Dec 19, 2023 by giacomofiorin • Draft
1 of 3 tasks
15
Enable CTest on Windows builds
#533 opened May 3, 2023 by giacomofiorin • Draft
Implement reflecting boundary conditions for metadynamics bias
#525 opened Apr 17, 2023 by fabsugar • Draft
5
ProTip! Filter pull requests by the default branch with base:master.