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Jun 23, 2022
- Use effective density for calculate the Verlet buffer · ff8cb4d3
  Berk Hess authored Jun 23, 2022 and Mark Abraham committed Jun 23, 2022
  ff8cb4d3
- Remove unused variable · ed6850e5
  Mark Abraham authored Jun 23, 2022
  
  ed6850e5
- Consolidate PP-rank vectors in PME force sender class · fbc799f3
  Alan Gray authored Jun 23, 2022 and Andrey Alekseenko committed Jun 23, 2022
  fbc799f3
Jun 22, 2022
- More new cool quotes · aee085a1
  Erik Lindahl authored Jun 22, 2022 and Andrey Alekseenko committed Jun 22, 2022
  aee085a1
Jun 21, 2022
- Compartmentalize simd as an object target · a0eb94a2
  Joe Jordan authored Jun 21, 2022 and Paul Bauer committed Jun 21, 2022
  
  a0eb94a2
- Produce doxygen XML for `api/` headers. (3/3) · 00dcaa7d
  M. Eric Irrgang authored Jun 17, 2022
  00dcaa7d
- Produce doxygen XML for `api/` headers. (2/3) · d8df5bc9
  M. Eric Irrgang authored Jun 17, 2022
  d8df5bc9
- Produce doxygen XML for `api/` headers. (1/3) · b71164b8
  M. Eric Irrgang authored Jun 17, 2022
  b71164b8
- Don't get property from a potentially non-existent target. · 523f7719
  M. Eric Irrgang authored Jun 21, 2022
  523f7719
- Added 7 quotes · 04cebc4f
  Cathrine Bergh authored Jun 21, 2022 and Paul Bauer committed Jun 21, 2022
  04cebc4f
- Revert "Simplify countNumCoupledConstraints a bit" · 3e71a3e9
  Andrey Alekseenko authored Jun 21, 2022 and Paul Bauer committed Jun 21, 2022
  3e71a3e9
Jun 20, 2022
- Also report conserved energy with AWH bias sharing · 2e4ff96e
  Berk Hess authored Jun 02, 2022 and Paul Bauer committed Jun 20, 2022
  2e4ff96e
- Compartmentalize pulling as an object target · f058d2fb
  Joe Jordan authored Jun 20, 2022 and Paul Bauer committed Jun 20, 2022
  f058d2fb
Jun 19, 2022
- Simplify countNumCoupledConstraints a bit · bd83914a
  Andrey Alekseenko authored Jun 17, 2022 and Paul Bauer committed Jun 19, 2022
  
  bd83914a
- Improve dependency tracking for `utility` CMake target. · 3de1eac4
  Joe Jordan authored Jun 19, 2022 and Paul Bauer committed Jun 19, 2022
  3de1eac4
Jun 17, 2022
- Add cool quote from summer school · a054eb96
  Paul Bauer authored Jun 17, 2022
  
  a054eb96
Jun 16, 2022
- Fix enum strings for PME grid ordering · 620ab5a9
  Mark Abraham authored Jun 16, 2022 and Andrey Alekseenko committed Jun 16, 2022
  
  620ab5a9
- Simplify Parrinello-Rahman matrix operations · 2370c5a4
  Mark Abraham authored Jun 16, 2022
  2370c5a4
- Merge hwe-release-2022 into main · a72da1e4
  Paul Bauer authored Jun 16, 2022
  a72da1e4
- Update header exposure in NB-lib targets. · 2cef5ce8
  M. Eric Irrgang authored Jun 16, 2022 and Joe Jordan committed Jun 16, 2022
  2cef5ce8
- Merge release-2022 into hwe-release-2022 · 0faaab4f
  Paul Bauer authored Jun 16, 2022
  0faaab4f
- Prepare branch for 2022.3 patch release · 479760bd
  Paul Bauer authored Jun 16, 2022
  479760bd
- GROMACS 2022.2 patch release · 4ff81217
  Paul Bauer authored Jun 16, 2022 and Andrey Alekseenko committed Jun 16, 2022
  View commits for tag v2022.2 v2022.2
  4ff81217
- Merge hwe-release-2022 into main · 39925108
  Andrey Alekseenko authored Jun 16, 2022
  39925108
- Isolate and consolidate installed NB-lib headers. · 07ba4b4d
  M. Eric Irrgang authored Jun 15, 2022 and Paul Bauer committed Jun 16, 2022
  07ba4b4d
- Update gmxapi cppdocs targets and paths. · d84caaa8
  M. Eric Irrgang authored Jun 16, 2022 and Paul Bauer committed Jun 16, 2022
  d84caaa8
- Avoid GPU direct comm limitation check with nstlist tuning · ac5d1f49
  Szilárd Páll authored Jun 16, 2022 and Paul Bauer committed Jun 16, 2022
  ac5d1f49
- Document issues with Verlet buffer estimation · a8a93524
  Berk Hess authored Jun 16, 2022 and Paul Bauer committed Jun 16, 2022
  a8a93524
Jun 15, 2022
- Disable cuFFTMp build till failures seen with single-GPU tests are resolved. · 9dd0ec3f
  Gaurav Garg authored Jun 15, 2022 and Andrey Alekseenko committed Jun 15, 2022
  9dd0ec3f
- Remove some unused files. · affe9920
  M. Eric Irrgang authored Jun 15, 2022
  affe9920
- Fix nightly SYCL build by switching to OpenCL. · e22a3b23
  Andrey Alekseenko authored Jun 14, 2022 and Paul Bauer committed Jun 15, 2022
  e22a3b23
- Add unit tests for Parrinello-Rahman pressure coupling · b288121f
  Mark Abraham authored Jun 15, 2022 and Paul Bauer committed Jun 15, 2022
  b288121f
- Change reference from master to release branch · 4e2e5429
  Paul Bauer authored Jun 13, 2022
  4e2e5429
- Enable cuFFTMp testing in CI/CD · ba0056fb
  Gaurav Garg authored Jun 15, 2022 and Paul Bauer committed Jun 15, 2022
  ba0056fb
- Fix OpenCL buils with 3.0 without subgroup support · 11204e6f
  Szilárd Páll authored Jun 15, 2022 and Paul Bauer committed Jun 15, 2022
  11204e6f
Jun 14, 2022
- Improve handling of nvcc flags when using gcc 7 · ba3cc13f
  Mark Abraham authored Jun 14, 2022 and Paul Bauer committed Jun 14, 2022
  ba3cc13f
- Fix clang-tidy error · a7a96200
  Gaurav Garg authored Jun 14, 2022 and Paul Bauer committed Jun 14, 2022
  a7a96200
- Fix clang warnings · 1fdcd9f0
  Andrey Alekseenko authored Jun 14, 2022 and Mark Abraham committed Jun 14, 2022
  1fdcd9f0
Jun 13, 2022
- Fix one more compiler warning · 2a6d8c7f
  Andrey Alekseenko authored Jun 13, 2022
  2a6d8c7f
- Add functions to set context when pinning host memory · 81f6ff4a
  Andrey Alekseenko authored Jun 13, 2022 and Szilárd Páll committed Jun 13, 2022
  81f6ff4a