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Pull requests: Colvars/colvars

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Pull requests list

test: fix run_tests.sh in GROMACS test suite
#948 opened Jul 24, 2026 by HanatoK Member Loading…
1
fix: avoid crash in VMD on MacOS bugfix To be used only in PRs quick VMD
#946 opened Jul 22, 2026 by jhenin Member • Draft
GPU coordnum
#940 opened Jul 15, 2026 by HanatoK Member • Draft
@HanatoK
[RFC] refactor: use separate CUDA streams for children of colvardeps and use CUDA events to synchronize the calculations
#938 opened Jul 6, 2026 by HanatoK Member Loading…
1 task done
20
More optimization attempts for self coordination number
#926 opened Mar 30, 2026 by HanatoK Member Loading…
3
refactor: completely remove static colvardeps
#925 opened Mar 27, 2026 by HanatoK Member Loading…
1
Handle boundary conditions internally optimization
#919 opened Feb 12, 2026 by giacomofiorin Member Loading…
25
WIP: Integrate support for GlobalMaster and CUDAGlobalMaster NAMD
#914 opened Feb 6, 2026 by giacomofiorin Member • Draft
ABF using kernelized gradient grid
#905 opened Jan 12, 2026 by jhenin Member • Draft
Extended dynamics for harmonic restraints
#900 opened Dec 14, 2025 by fhh2626 Contributor Loading…
Support self-hosted GitHub runners testing Only affects CI; not listed in outside PRs
#882 opened Nov 13, 2025 by giacomofiorin Member • Draft
Weighted poisson integration
#872 opened Oct 23, 2025 by jhenin Member Loading…
5 tasks done
31
Deprecate "enableFitGradients no" testing Only affects CI; not listed in outside PRs
#869 opened Oct 17, 2025 by HanatoK Member Loading…
2 of 6 tasks
7
Fixes suggested by clang-tidy
#867 opened Oct 13, 2025 by jhenin Member • Draft
1
Add clang-tidy CI workflow testing Only affects CI; not listed in outside PRs
#859 opened Sep 9, 2025 by giacomofiorin Member • Draft
8
Support dynamic communication of atom buffers
#789 opened Apr 15, 2025 by giacomofiorin Member • Draft
17
Support full initialization of volumetric maps within Colvars NAMD VMD
#737 opened Oct 23, 2024 by giacomofiorin Member Loading…
@giacomofiorin
6
Bias-exchange metadynamics implementation NAMD script_API Control Colvars from scripts
#734 opened Oct 18, 2024 by giacomofiorin Member • Draft
[RFC] Work towards reusable CVCs
#700 opened Jun 29, 2024 by HanatoK Member • Draft
1 task done
39
Create abf::setup_output() for consistency
#687 opened Apr 12, 2024 by jhenin Member • Draft
1
Allow reusing computation and data between CVC objects optimization
#644 opened Dec 19, 2023 by giacomofiorin Member • Draft
1 of 3 tasks
15
Enable CTest on Windows builds
#533 opened May 3, 2023 by giacomofiorin Member • Draft
Implement reflecting boundary conditions for metadynamics bias
#525 opened Apr 17, 2023 by fabsugar Contributor • Draft
21
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