Commits · v2019-beta2 · Brian Andrews / GROMACS

Browse files

Nov 06, 2018
- GROMACS 2019 second beta release · 807b6c96
  Paul Bauer authored Nov 01, 2018
  View commits for tag v2019-beta2 v2019-beta2
  807b6c96
Nov 05, 2018
- Make PME OpenCL enabled only for AMD devices · 577b4d23
  Mark Abraham authored Nov 05, 2018
  577b4d23
- Remove source file with no content · ba3d3387
  Mark Abraham authored Nov 05, 2018 and Paul Bauer committed Nov 05, 2018
  ba3d3387
- Fix non ascii characters in manual references · 0ea1499b
  Paul Bauer authored Nov 05, 2018
  0ea1499b
- Make QM/MM code always compile · 21f509ef
  Paul Bauer authored Oct 24, 2018 and Mark Abraham committed Nov 05, 2018
  21f509ef
- Disable -Wno-missing-prototypes · 6c2eb228
  Alexey Shvetsov authored Oct 22, 2018 and Mark Abraham committed Nov 05, 2018
  6c2eb228
- Give more info when trying to build manual · d4025a3e
  Paul Bauer authored Oct 23, 2018 and Mark Abraham committed Nov 05, 2018
  d4025a3e
- Fix formatting issue · 2b323d5f
  Paul Bauer authored Nov 05, 2018
  2b323d5f
Nov 02, 2018
- Quiet unused variable warnings · 72617a9d
  Mark Abraham authored Nov 01, 2018 and Paul Bauer committed Nov 02, 2018
  72617a9d
Nov 01, 2018
- Fix broken update groups · d29cb9da
  Berk Hess authored Oct 27, 2018
  d29cb9da
- Fully define symbols in restraintpotential.h · 6aaebd63
  M. Eric Irrgang authored Nov 01, 2018 and Paul Bauer committed Nov 01, 2018
  6aaebd63
- Add missing blame for restraint module files. · 56b66d5a
  M. Eric Irrgang authored Nov 01, 2018
  56b66d5a
- Disable ccache by default · c961175c
  Mark Abraham authored Oct 27, 2018
  c961175c
Oct 31, 2018
- Limit auto assignment of bondeds to GPUs · 513b217b
  Berk Hess authored Oct 19, 2018 and Mark Abraham committed Oct 31, 2018
  513b217b
- Pin important buffers in CUDA bondeds · 80e695a1
  Berk Hess authored Oct 16, 2018 and Szilárd Páll committed Oct 31, 2018
  80e695a1
- Add CUDA bonded kernels · b9e713b6
  Jonathan Vincent authored Oct 01, 2018 and Mark Abraham committed Oct 31, 2018
  b9e713b6
- Fix FP exception in energy reduction · 631a25cf
  Berk Hess authored Oct 27, 2018
  631a25cf
- Correct VV integrator nstcalcenergy use · ef48ba37
  Berk Hess authored Oct 29, 2018 and Mark Abraham committed Oct 31, 2018
  ef48ba37
- Correct grompp nstexpanded/nstcalcenergy check · e1e38bc3
  Berk Hess authored Oct 28, 2018
  e1e38bc3
- Add equation numbers in reference manual · 50901564
  Paul Bauer authored Oct 27, 2018 and Erik Lindahl committed Oct 31, 2018
  50901564
Oct 30, 2018
- Improve ccache implementation · abc91257
  Mark Abraham authored Oct 27, 2018
  abc91257
- Change Table of contents depth · 3a461171
  Paul Bauer authored Oct 29, 2018 and Mark Abraham committed Oct 30, 2018
  3a461171
- Rename to GMX_OPENCL_NB_CLUSTER_SIZE · 8c3e9ab2
  Mark Abraham authored Oct 27, 2018
  8c3e9ab2
- Updates to docs for OpenCL support · f81e2023
  Mark Abraham authored Oct 11, 2018 and Paul Bauer committed Oct 30, 2018
  f81e2023
Oct 26, 2018
- Merge "Merge branch release-2018 into release-2019" into release-2019 · 7ce2d662
  Mark Abraham authored Oct 26, 2018
  
  7ce2d662
- Merge branch release-2018 into release-2019 · fb755982
  Mark Abraham authored Oct 26, 2018
  fb755982
- Fix link formatting in developer manual · 2d2276f1
  Paul Bauer authored Oct 26, 2018
  2d2276f1
- Add missing mass term to deltaH · b51dbae2
  Berk Hess authored Oct 24, 2018 and Mark Abraham committed Oct 26, 2018
  b51dbae2
- Update user documentation overview · 53ea5a03
  Paul Bauer authored Oct 26, 2018
  53ea5a03
Oct 25, 2018
- Introduce ArrayRefWithPadding · 93109ddf
  Mark Abraham authored Oct 18, 2018
  93109ddf
- Change doc build without image conversion · aaa9dd89
  Paul Bauer authored Oct 19, 2018 and Mark Abraham committed Oct 25, 2018
  aaa9dd89
Oct 24, 2018
- Update QM gaussian interface · e26e468f
  Paul Bauer authored Oct 23, 2018 and Berk Hess committed Oct 24, 2018
  e26e468f
- Fix MPI w/o MPI_IN_PLACE · 21717fef
  Paul Bauer authored Oct 23, 2018 and Mark Abraham committed Oct 24, 2018
  21717fef
Oct 23, 2018
- Add missing constraint term to deltaH · 1d8678d9
  Berk Hess authored Oct 23, 2018
  1d8678d9
- Properly attribute work and use correct dates for binaryinformation · 515e6b44
  Joe Jordan authored Oct 22, 2018 and Magnus Lundborg committed Oct 23, 2018
  515e6b44
Oct 22, 2018
- Prepare for beta 2 · 07ceec30
  Paul Bauer authored Oct 22, 2018
  07ceec30
- GROMACS 2019 first beta release · d42a815e
  Paul Bauer authored Oct 10, 2018
  View commits for tag v2019-beta1 v2019-beta1
  d42a815e
Oct 21, 2018
- Fix mdrun start/end time print · 5abf87a1
  Berk Hess authored Oct 19, 2018 and Mark Abraham committed Oct 21, 2018
  5abf87a1
Oct 19, 2018
- Documentation bug in gmxapi/context.h · eb041329
  M. Eric Irrgang authored Oct 19, 2018 and Mark Abraham committed Oct 19, 2018
  eb041329
Oct 18, 2018
- Remove unused files in docs/manual · bd65de70
  Paul Bauer authored Oct 18, 2018
  bd65de70