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Jul 24, 2025
- Bump minimum required version of HDF5 to 1.10.7 · 0a7fdf92
  Petter Johansson authored Jul 24, 2025 and Paul Bauer committed Jul 24, 2025
  0a7fdf92
Jul 23, 2025
- Fix assertion failure due to another call of makeConstraints · e78e5e1c
  Berk Hess authored Jul 23, 2025 and Paul Bauer committed Jul 23, 2025
  
  e78e5e1c
- Add NVSHMEM version reporting · b00b4d63
  Andrey Alekseenko authored Jul 23, 2025 and Paul Bauer committed Jul 23, 2025
  
  b00b4d63
Jul 22, 2025
- Fix assertion failure in constraint initialization · f96d1fe5
  Berk Hess authored Jul 22, 2025
  f96d1fe5
Jul 21, 2025
- Replace t_commrec by MpiComm in pme_error.cpp · 9c3621fb
  Berk Hess authored Jul 21, 2025 and Andrey Alekseenko committed Jul 21, 2025
  
  9c3621fb
- CI: Add a RISC-V (cross-compiler and emulated) job · 1d31b8ad
  Andrey Alekseenko authored Jul 21, 2025
  1d31b8ad
Jul 19, 2025
- Start ITT profiling data collection after reset · 264d18a6
  Mark Abraham authored Jul 19, 2025 and Paul Bauer committed Jul 19, 2025
  264d18a6
Jul 17, 2025
- H5MD: Fix string format error · 03cef5f3
  Alexey Shvetsov authored Jul 17, 2025 and Mark Abraham committed Jul 17, 2025
  03cef5f3
- Move vector functionality from math to utility · 0accfd1a
  Mark Abraham authored Jul 17, 2025 and Muhammad Umair Sadiq committed Jul 17, 2025
  0accfd1a
Jul 16, 2025
- Use MpiComm in the domdec module · 4416ebee
  Berk Hess authored Jul 16, 2025 and Mark Abraham committed Jul 16, 2025
  
  4416ebee
Jul 15, 2025
- Port AWH regressiontests · 83a0c06d
  Mark Abraham authored Jul 15, 2025
  83a0c06d
Jul 11, 2025
- Replace mdmodules domdec notification by globalAtomIndices · 6857db41
  Berk Hess authored Jul 06, 2025 and Mark Abraham committed Jul 11, 2025
  6857db41
Jul 10, 2025
- Fix recent nnpot issue · 211a69b3
  Berk Hess authored Jul 10, 2025 and Mark Abraham committed Jul 10, 2025
  
  211a69b3
- Move duty flags from t_commrec to gmx_domdec_t · 9a4645c4
  Berk Hess authored Jul 10, 2025
  
  9a4645c4
- Extract NBNxM pair search code to methods in GridDimensions · 74f4771b
  Berk Hess authored Jul 10, 2025 and Andrey Alekseenko committed Jul 10, 2025
  74f4771b
- Create simulationRunNotifier_ · c1ed7770
  Berk Hess authored Jul 10, 2025 and Mark Abraham committed Jul 10, 2025
  c1ed7770
- Remove gmx_sum functions · cb474259
  Berk Hess authored Jul 10, 2025 and Mark Abraham committed Jul 10, 2025
  cb474259
Jul 09, 2025
- Use MpiComm in sim_util.cpp and pme_pp.cpp · 2d603089
  Berk Hess authored Jul 09, 2025 and Andrey Alekseenko committed Jul 10, 2025
  2d603089
- Enable the AdaptiveCpp SSCP compilation flow · 350eedec
  Bálint Soproni authored Jul 09, 2025 and Andrey Alekseenko committed Jul 09, 2025
  350eedec
- Reorder nd_range indices to launch SYCL NBNxM kernels along dim 2 · f9600b32
  Bálint Soproni authored Jul 09, 2025 and Paul Bauer committed Jul 09, 2025
  f9600b32
- Add release tests with HIP · f5e122ff
  Paul Bauer authored Jul 09, 2025
  f5e122ff
Jul 08, 2025
- Replace t_commrec by MpiComm in the AWH module · 4043d166
  Berk Hess authored Jul 08, 2025
  
  4043d166
- Fix MpiComm documentation issues · 5d72c4f9
  Berk Hess authored Jul 08, 2025
  
  5d72c4f9
- Remove leftover use of t_commrec · 19212699
  Berk Hess authored Jul 08, 2025 and Mark Abraham committed Jul 08, 2025
  
  19212699
- H5md: Use data set builders in tests and clean up old code · 191b9d5b
  Petter Johansson authored Jul 08, 2025
  191b9d5b
- Use MpiComm in t_commrec · db61f87e
  Berk Hess authored Jul 08, 2025 and Mark Abraham committed Jul 08, 2025
  db61f87e
Jul 07, 2025
- Remove matrix-vector multiplication functions · 5d87ef2f
  Petter Johansson authored Jul 07, 2025 and Mark Abraham committed Jul 07, 2025
  5d87ef2f
- Add class MpiComm · 6e9ea35b
  Berk Hess authored Jul 07, 2025 and Mark Abraham committed Jul 07, 2025
  6e9ea35b
- Convert BasicMatrix3x3 to template class · 9e9b438b
  Alexey Shvetsov authored Jul 07, 2025 and Mark Abraham committed Jul 07, 2025
  9e9b438b
Jul 06, 2025
- Fix doxygen error · f9975fd6
  Alexey Shvetsov authored Jul 06, 2025 and Andrey Alekseenko committed Jul 06, 2025
  f9975fd6
Jul 05, 2025
- Make analysisdata use size_t instead of int · b7eb9e99
  Alexey Shvetsov authored Jul 05, 2025 and Mark Abraham committed Jul 05, 2025
  b7eb9e99
Jul 04, 2025
- H5md: Update RVec-list creation functions to create 3d data sets · 1016935b
  Petter Johansson authored Jul 04, 2025
  1016935b
- Reading and writing for both scalar and array of attributes · d491d6b4
  YANG Zhang authored Jul 04, 2025 and Mark Abraham committed Jul 04, 2025
  d491d6b4
- Fix build with MSVC · ca2e5d64
  Andrey Alekseenko authored Jul 04, 2025 and Mark Abraham committed Jul 04, 2025
  ca2e5d64
Jul 02, 2025
- Change all occurrences of uint to unsigned int · 5f0ff07a
  Petter Johansson authored Jul 02, 2025 and Paul Bauer committed Jul 02, 2025
  5f0ff07a
- vectypes.h cleanup: use XX,YY,ZZ for indexes · e0549eb9
  Alexey Shvetsov authored Jul 02, 2025 and Mark Abraham committed Jul 02, 2025
  
  e0549eb9
- Remove PME kernel params wrapper for CUDA (and later HIP) · b168eeaa
  Paul Bauer authored Jul 02, 2025 and Mark Abraham committed Jul 02, 2025
  b168eeaa
- Document MdModulesCoulombTypeInfo param in preProcessingNotifier_ · 8e7142cc
  Muhammad Umair Sadiq authored Jul 02, 2025 and Mark Abraham committed Jul 02, 2025
  8e7142cc
- vectypes.h: change array index from int to size_t · 6a1c2ac2
  Alexey Shvetsov authored Jul 02, 2025 and Petter Johansson committed Jul 02, 2025
  6a1c2ac2
Jul 01, 2025
- Partly modernize swap state and history · d2149743
  Mark Abraham authored Jul 01, 2025 and Lukas Müllender committed Jul 01, 2025
  d2149743