Skip to content

Issues: Colvars/colvars

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

26 Open 329 Closed
26 Open 329 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

distance_dir::apply_force seems incorrect bug To be used only in issues important
#714 opened Sep 13, 2024 by HanatoK
@giacomofiorin @jhenin
10
Feature request: reusable bias
#712 opened Sep 9, 2024 by HanatoK
1
Allowing the script API to return atom IDs even in scalable computations
#703 opened Jul 10, 2024 by giacomofiorin
usage of abf_integrate
#702 opened Jul 4, 2024 by meghaparashar2
4
Intel compiler 2019 fails to calculate the eigenvectors correctly
#695 opened Jun 4, 2024 by HanatoK
5
sh: 15: hash: Illegal option -t
#693 opened May 26, 2024 by ljh433
2
cv save changes prefix for future output
#683 opened Apr 9, 2024 by jhenin
@jhenin
8
dA/dLambda outputs: trajectory file and dispersion
#678 opened Mar 21, 2024 by EzryStIago
@jhenin
1
Better error message when trying to load coordinates from missing files
#667 opened Mar 5, 2024 by giacomofiorin
1
@jhenin
3
CTest coverage reporting
#613 opened Oct 24, 2023 by jhenin
1
More flexible control of PBC error handling
#612 opened Oct 24, 2023 by giacomofiorin
Support external path for Colvars when building GROMACS GROMACS
#611 opened Oct 23, 2023 by giacomofiorin
Cache group definitions that come from PDB files
#599 opened Oct 3, 2023 by giacomofiorin
Consolidate backend test runners
#597 opened Sep 29, 2023 by giacomofiorin
Drop Oracle/Sun compiler from CI tests? question quick
#595 opened Sep 27, 2023 by giacomofiorin
1
RFC: Further optimize the optimal rotation code path non-urgent Long-term improvement optimization
#560 opened Jul 25, 2023 by HanatoK
6
Allowing custom grid definition for each bias instance
#476 opened May 4, 2022 by giacomofiorin
1 of 5 tasks
1
Discuss Jacobian term in the doc documentation Only affects manual and other docs
#469 opened Mar 25, 2022 by giacomofiorin
3
Offer some way for parser to deal with spaces in file paths non-urgent Long-term improvement parser Only affects the input parser
#412 opened Jul 28, 2021 by jhenin
2
Make ABF inputPrefix accept state files
#355 opened Jun 10, 2020 by jhenin
@jhenin
Smaller variant of multicol files for 3D grids (and beyond)
#348 opened Apr 27, 2020 by jhenin
@giacomofiorin
10
last line of config can be added twice to config_string minor bug technically a bug, does not affect user experience in real life non-urgent Long-term improvement parser Only affects the input parser
#304 opened Dec 5, 2019 by jhenin
@giacomofiorin
Feature request: re-usable components optimization
#232 opened Mar 7, 2019 by jhenin
@jhenin
10
Make corrFunc and runAve restartable biases optimization quick
#228 opened Feb 28, 2019 by giacomofiorin
@giacomofiorin
2
Minimum image code in NAMD/VMD is not robust to strongly tilted PBCs NAMD stability VMD
#160 opened Jun 26, 2018 by jhenin
@jhenin
7
ProTip! Type g p on any issue or pull request to go back to the pull request listing page.