Commits · main · liuyujie714 / GROMACS · GitLab

Feb 17, 2025
- Added std:: prefix to remaining occurences of exit · 60d5e5bb
  Vedran Miletić authored Mar 14, 2024 and Mark Abraham committed Feb 17, 2025
  
  60d5e5bb
- Added std:: prefix to remaining occurence of abort · 4bb82729
  Vedran Miletić authored Mar 14, 2024 and Mark Abraham committed Feb 17, 2025
  
  4bb82729
- Added std:: prefix to remaining occurence of getchar · 654659f5
  Vedran Miletić authored Mar 14, 2024 and Mark Abraham committed Feb 17, 2025
  
  654659f5
- Added std:: prefix to remaining occurences of f{get,put}s · cdfcb15d
  Vedran Miletić authored Mar 14, 2024 and Mark Abraham committed Feb 17, 2025
  
  cdfcb15d
- Added std:: prefix to remaining occurences of fgetc · 2ce7fba9
  Vedran Miletić authored Mar 14, 2024 and Mark Abraham committed Feb 17, 2025
  
  2ce7fba9
- Added std:: prefix to remaining occurences of f{open,close,flush,read,write} · 04aad506
  Vedran Miletić authored Mar 14, 2024 and Mark Abraham committed Feb 17, 2025
  
  04aad506
- Added std:: prefix to remaining occurences of f{seek,tell,eof,error} and rewind · bbd0b5d2
  Vedran Miletić authored Mar 13, 2024 and Mark Abraham committed Feb 17, 2025
  
  bbd0b5d2
- Added std:: prefix to remaining occurences of is{alnum,alpha,digit,space} · e3d68cdf
  Vedran Miletić authored Mar 13, 2024 and Mark Abraham committed Feb 17, 2025
  
  e3d68cdf
- Added std:: prefix to remaining occurences of to{lower,upper} · 1edd3ede
  Vedran Miletić authored Mar 13, 2024 and Mark Abraham committed Feb 17, 2025
  
  1edd3ede
- Added std:: prefix to remaining occurences of str functions · b2c0eb97
  Vedran Miletić authored Mar 13, 2024 and Mark Abraham committed Feb 17, 2025
  
  b2c0eb97
- Added std:: prefix to remaining occurences of mem{cmp,set,cpy} · c72818f3
  Vedran Miletić authored Mar 13, 2024 and Mark Abraham committed Feb 17, 2025
  
  c72818f3
- Added std:: prefix to remaining occurences of {m,c,re}alloc and free · 7dfb14f7
  Vedran Miletić authored Mar 13, 2024 and Mark Abraham committed Feb 17, 2025
  
  7dfb14f7
- Added std:: prefix to remaining occurences of remove and rename · 3ef9bbaa
  Vedran Miletić authored Mar 13, 2024 and Mark Abraham committed Feb 17, 2025
  
  3ef9bbaa
- Added std:: prefix to remaining occurences of set{,v}buf · cbefa0ac
  Vedran Miletić authored Mar 13, 2024 and Mark Abraham committed Feb 17, 2025
  
  cbefa0ac
- Added std:: prefix to remaining occurences of fe{get,set}env{,_t} and feclearexcept · 4be3b4fc
  Vedran Miletić authored Mar 14, 2024 and Mark Abraham committed Feb 17, 2025
  
  4be3b4fc
- Added std:: prefix to remaining occurences of time{,spec,_t} and ctime · 8b131f74
  Vedran Miletić authored Mar 13, 2024 and Mark Abraham committed Feb 17, 2025
  8b131f74
- Added std:: prefix to remaining occurences of sig{nal,_atomic_t} · 5f9124de
  Vedran Miletić authored Mar 13, 2024 and Mark Abraham committed Feb 17, 2025
  
  5f9124de
- Added std:: prefix to remaining occurences of {,s}rand, qsort, bsearch · f07dbbe9
  Vedran Miletić authored Mar 13, 2024 and Mark Abraham committed Feb 17, 2025
  
  f07dbbe9
- Added std:: prefix to remaining occurences of getenv · e85f499a
  Vedran Miletić authored Mar 14, 2024 and Mark Abraham committed Feb 17, 2025
  
  e85f499a
- Added std:: prefix to remaining occurences of system · 9d054c58
  Vedran Miletić authored Mar 13, 2024 and Mark Abraham committed Feb 17, 2025
  
  9d054c58
- To bb or not to bb, that is the QUESTION! · 6a07ad75
  IndigoCarmine authored Feb 17, 2025 and Paul Bauer committed Feb 17, 2025
  6a07ad75
Feb 16, 2025
- sycl: report graphs/submit features in binary info · 3654333c
  Andrey Alekseenko authored Feb 06, 2025 and Mark Abraham committed Feb 17, 2025
  
  3654333c
Feb 15, 2025
- Add throwUponInvalidHid function to check for invalid IDs from HDF5 · e896270d
  Petter Johansson authored Feb 15, 2025 and Andrey Alekseenko committed Feb 15, 2025
  
  e896270d
- Add unit tests for H5md scope guards · 595e896f
  Petter Johansson authored Feb 15, 2025 and Andrey Alekseenko committed Feb 15, 2025
  
  595e896f
Feb 14, 2025
- Renamed inpIndices and inpAtoms · 7b4ebd16
  Lukas Müllender authored Feb 14, 2025 and Andrey Alekseenko committed Feb 14, 2025
  7b4ebd16
- Resolving multiple Doxygen warnings · 1ef35721
  M-Jafarkhani authored Feb 14, 2025 and Mark Abraham committed Feb 14, 2025
  1ef35721
- Adding missing defgroups for doxygen · e95a4541
  M-Jafarkhani authored Feb 14, 2025 and Mark Abraham committed Feb 14, 2025
  e95a4541
Feb 13, 2025
- Remove unused files from share/top · 22ebfa86
  Andrey Alekseenko authored Feb 13, 2025 and Paul Bauer committed Feb 13, 2025
  22ebfa86
Feb 12, 2025
- Remove outdated CMake comment · fa7af90d
  Andrey Alekseenko authored Feb 12, 2025
  fa7af90d
- Merge release-2025 into main · 43526066
  Andrey Alekseenko authored Feb 12, 2025
  43526066
- Remove questionable quotes · 5c640f27
  Paul Bauer authored Feb 12, 2025 and Andrey Alekseenko committed Feb 12, 2025
  5c640f27
- Prepare branch for 2025.1 point release · ab283a4d
  Muhammad Umair Sadiq authored Feb 12, 2025 and Andrey Alekseenko committed Feb 12, 2025
  ab283a4d
Feb 11, 2025
- Add overload operator* for matrix-vector multiply · a8616f90
  Alexey Shvetsov authored Feb 11, 2025 and Andrey Alekseenko committed Feb 11, 2025
  a8616f90
- Remove gmx prefix from free energy kernel · 9670429f
  Berk Hess authored Feb 11, 2025 and Andrey Alekseenko committed Feb 11, 2025
  
  9670429f
Feb 10, 2025
- GROMACS 2025.0 release · 69496154
  Muhammad Umair Sadiq authored Feb 10, 2025
  View commit 69496154 2 tags
  69496154
- Disable GPU direct between PP and PME ranks for thread MPI builds · 9f2a79c8
  Paul Bauer authored Feb 10, 2025 and Berk Hess committed Feb 10, 2025
  9f2a79c8
- Merge release-2024 into release-2025 · 449e2448
  Andrey Alekseenko authored Feb 10, 2025
  449e2448
- docs: Add known issue about CUDA + tMPI + sep. PME rank · 5ac76e18
  Andrey Alekseenko authored Feb 10, 2025
  5ac76e18
- doc: Add a note about nvshmem enabled PP haloexchange support to release notes 2025 and highlights · b98c38f2
  Mahesh Doijade authored Feb 10, 2025 and Andrey Alekseenko committed Feb 10, 2025
  b98c38f2
- Require MPI 3.0 · 0d8ce2b6
  Andrey Alekseenko authored Feb 10, 2025
  0d8ce2b6