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Dec 02, 2025
- Prepare main for 2027 release · 15e0cf68
  Muhammad Umair Sadiq authored Dec 02, 2025
  15e0cf68
- Add H5MD error handling macros and use them · 9ed5df50
  Petter Johansson authored Dec 02, 2025
  9ed5df50
- Merge branch release-2026 into main · 425d6833
  Petter Johansson authored Dec 01, 2025
  425d6833
Dec 01, 2025
- CUDA: correctly set gpu_min_ci_balanced_factor · 30ebe4ec
  Andrey Alekseenko authored Dec 01, 2025 and Berk Hess committed Dec 01, 2025
  30ebe4ec
- Fix numerous warnings in corner cases · 92ce9c76
  Mark Abraham authored Dec 01, 2025 and Berk Hess committed Dec 01, 2025
  92ce9c76
Nov 28, 2025
- Use ASSERT_NO_THROW when appropriate · 2386b435
  Mark Abraham authored Nov 27, 2025
  2386b435
- Fix small issues in docs and comments · 277f3866
  Andrey Alekseenko authored Nov 28, 2025 and Mark Abraham committed Nov 28, 2025
  277f3866
- Remove unused metadata getters and setters from H5md class · 164742e2
  Petter Johansson authored Nov 28, 2025
  
  164742e2
- Fix CUDA includes · cb809045
  Andrey Alekseenko authored Nov 28, 2025
  cb809045
- Avoid warnings about failed named-return-value optimizations · 27ca79ef
  Mark Abraham authored Nov 28, 2025
  27ca79ef
- CI: Work around CUDA PTX/Blackwell compatibility issues · 9815811e
  Andrey Alekseenko authored Nov 28, 2025 and Mark Abraham committed Nov 28, 2025
  9815811e
Nov 26, 2025
- Add release notes for H5MD · f8cb8617
  Petter Johansson authored Nov 26, 2025 and Andrey Alekseenko committed Nov 26, 2025
  f8cb8617
- Fix FEP unit test errors when running GPU builds on CPU-only machines · ba9b0ded
  Yiqi Chen authored Nov 26, 2025 and Andrey Alekseenko committed Nov 26, 2025
  ba9b0ded
Nov 25, 2025
- ci: update "newest CUDA" image · 318cff5d
  Andrey Alekseenko authored Nov 25, 2025 and Paul Bauer committed Nov 25, 2025
  318cff5d
Nov 21, 2025
- Do not repeat HDF5 version string if HDF5 is not found during configuration · 3480ab88
  Petter Johansson authored Nov 21, 2025 and Andrey Alekseenko committed Nov 21, 2025
  3480ab88
- Simplify PME spread pipelining stream dependencies · e3895d7e
  Mark Abraham authored Nov 21, 2025 and Paul Bauer committed Nov 21, 2025
  e3895d7e
Nov 20, 2025
- 2026 beta release · 9b050e9f
  Muhammad Umair Sadiq authored Nov 20, 2025
  View commits for tag v2026-beta v2026-beta
  9b050e9f
Nov 19, 2025
- Avoid creating command-group handlers for oneAPI device submissions · 597b1158
  Mark Abraham authored Nov 19, 2025 and Andrey Alekseenko committed Nov 20, 2025
  597b1158
- Declutter CMake interactive view · 091b8c0f
  Andrey Alekseenko authored Nov 19, 2025
  091b8c0f
- Set up CI for release-2026 · 159354cf
  Muhammad Umair Sadiq authored Nov 19, 2025
  
  159354cf
- Clean up consecutive blank lines · 5f0a571d
  Vedran Miletić authored Nov 19, 2025
  
  5f0a571d
- Clean up trailing whitespace in rST files · ebd29ae3
  Vedran Miletić authored Nov 19, 2025
  
  ebd29ae3
- Add release notes for H5MD · ac83ec9f
  Petter Johansson authored Nov 19, 2025 and Mark Abraham committed Nov 19, 2025
  ac83ec9f
- Use device transfer wrapper in GPU haloexchange · 2094fa6c
  Paul Bauer authored Nov 19, 2025 and Mark Abraham committed Nov 19, 2025
  2094fa6c
Nov 18, 2025
- Disable clang-tidy completely for external code · ff0e9730
  Andrey Alekseenko authored Nov 12, 2025
  
  ff0e9730
- Merge branch release-2025 into main · 36747fe3
  Andrey Alekseenko authored Nov 18, 2025
  36747fe3
- Add GPU FE kernels to release notes · a2eb7508
  Berk Hess authored Nov 18, 2025
  
  a2eb7508
- Add FEP GPU kernel unit tests · 93d11b09
  Yiqi Chen authored Nov 18, 2025 and Berk Hess committed Nov 18, 2025
  93d11b09
- Fix minor issues with GPU FEP code · 1106d187
  Mark Abraham authored Nov 18, 2025
  1106d187
- Add FEP GPU kernels · bda75482
  Yiqi Chen authored Nov 18, 2025 and Berk Hess committed Nov 18, 2025
  bda75482
Nov 17, 2025
- Update known issue about GCC on POWER9 · 480e9fc2
  Andrey Alekseenko authored Nov 17, 2025
  480e9fc2
- Don't search for HDF5 when GMX_USE_HDF5 is OFF · d756adaa
  Andrey Alekseenko authored Nov 17, 2025 and Mark Abraham committed Nov 17, 2025
  d756adaa
- Bump TPX generation · 4d1e8c84
  Lukas Müllender authored Nov 17, 2025 and Petter Johansson committed Nov 17, 2025
  4d1e8c84
- Work around GCC bug on ARM SVE · 82698f90
  Andrey Alekseenko authored Nov 17, 2025
  82698f90
- Update the list of Intel GPU architectures · 02055f7c
  Andrey Alekseenko authored Nov 17, 2025
  02055f7c
- Avoid FPE in CuFFT JIT · 32ed22a5
  Andrey Alekseenko authored Nov 17, 2025
  32ed22a5
- Fix assorted issues introduced in recent commits · c6ac5d3e
  Andrey Alekseenko authored Nov 17, 2025 and Mark Abraham committed Nov 17, 2025
  c6ac5d3e
- Fix inter-molecular exclusion logic · b47e68b6
  Lukas Müllender authored Nov 17, 2025 and Andrey Alekseenko committed Nov 17, 2025
  b47e68b6
Nov 14, 2025
- Warn about OMP_PROC_BIND in GMX_REPORT_CPU_AFFINITY · 850eacea
  Andrey Alekseenko authored Nov 14, 2025 and Mark Abraham committed Nov 14, 2025
  850eacea
- Permit optional use of OneAPI extension work_group_static in all SYCL kernels · 639afc5b
  Mark Abraham authored Nov 14, 2025 and Szilárd Páll committed Nov 14, 2025
  639afc5b