Commits · db71b3b9944f4ff8415b56df3eb69f39be4922f9 · 郑智淋 / lammps · GitLab

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May 06, 2020
- update singularity image defitions to include gtest and libyaml. drop f30 · db71b3b9
  Axel Kohlmeyer authored May 06, 2020
  
  db71b3b9
- Merge pull request #2068 from junghans/cmake_enable_chain.x · 14fb49c1
  Axel Kohlmeyer authored May 05, 2020
  14fb49c1
May 05, 2020
- Merge branch 'cmake_enable_chain.x' of github.com:junghans/lammps into cmake_enable_chain.x · fc7b1dc4
  Axel Kohlmeyer authored May 05, 2020
  
  fc7b1dc4
- tweak tbbmalloc search path for intel 19.1 compiler · b933538d
  Axel Kohlmeyer authored May 05, 2020
  
  b933538d
- cmake: include where it is used · 8a114fca
  Christoph Junghans authored May 05, 2020
  
  8a114fca
- check for fortran instead of directly enabling it · 9708b589
  Axel Kohlmeyer authored May 05, 2020
  
  9708b589
- don't enable fortran if the generator does not support it. · bcd50646
  Axel Kohlmeyer authored May 05, 2020
  
  bcd50646
- cmake: enable Fortran before checking for the compiler · b5af7da2
  Christoph Junghans authored May 05, 2020
  
  b5af7da2
- Merge pull request #2064 from akohlmey/next_lammps_version · 260e6baf
  Axel Kohlmeyer authored May 04, 2020
  View commits for tag patch_5May2020 patch_5May2020
  
  260e6baf
- Merge pull request #2019 from z-gong/viscosity · 13296031
  Axel Kohlmeyer authored May 04, 2020
  13296031
- Merge pull request #2049 from rbberger/singularity_container_update · 71ab9dc0
  Axel Kohlmeyer authored May 04, 2020
  71ab9dc0
May 04, 2020
- Merge pull request #2055 from akohlmey/reaxc-runtime-adjust · 6d0ef856
  Axel Kohlmeyer authored May 04, 2020
  6d0ef856
- Merge pull request #2051 from akohlmey/collected-small-changes · 48262fd0
  Axel Kohlmeyer authored May 04, 2020
  48262fd0
- manually incorporate fixes for ave/correlate/long from PR #2066 · bed6ad46
  Axel Kohlmeyer authored May 04, 2020
  
  bed6ad46
May 03, 2020
- step version strings for the next patch release · 7295e93e
  Axel Kohlmeyer authored May 03, 2020
  
  7295e93e
- add a few more packages to the "most" preset · 61284891
  Axel Kohlmeyer authored May 03, 2020
  
  61284891
- silence compiler warning · b12b69f6
  Axel Kohlmeyer authored May 03, 2020
  
  b12b69f6
- fix typo that resulted in LAPACK not being properly linked with USER-ATC · f1e1644f
  Axel Kohlmeyer authored May 03, 2020
  
  f1e1644f
- skip building chain.x, if no Fortran compiler is available · d811fd0d
  Axel Kohlmeyer authored May 03, 2020
  
  d811fd0d
- add patch to VORONOI package external build so it will compile with BSD make · fdb4ba51
  Axel Kohlmeyer authored May 03, 2020
  
  fdb4ba51
- add the check for MPI in USER-ATC at the correct location · f5be3cca
  Axel Kohlmeyer authored May 03, 2020
  
  f5be3cca
- port MPI stubs workaround to USER-ATC · 863b5050
  Axel Kohlmeyer authored May 03, 2020
  
  863b5050
- support diskfree option to "fix halt" also on BSD variants · 4bf9c473
  Axel Kohlmeyer authored May 03, 2020
  
  4bf9c473
- use different header for alloca(3) on *BSD · e8d4cc42
  Axel Kohlmeyer authored May 03, 2020
  
  e8d4cc42
- replace legacy preprocessor tests for linux with POSIX compliant ones · fa2a6d7c
  Axel Kohlmeyer authored May 03, 2020
  
  fa2a6d7c
- extend FreeBSD preprocessor checks to other BSD flavors · d5b99481
  Axel Kohlmeyer authored May 03, 2020
  
  d5b99481
- recover compilation of fix imd on FreeBSD · 795e2cb1
  Axel Kohlmeyer authored May 02, 2020
  
  795e2cb1
- add FreeBSD compatibility · 2b542eac
  Axel Kohlmeyer authored May 02, 2020
  
  2b542eac
May 02, 2020
- use static_cast<>() for casting NULL · 613b8a75
  Axel Kohlmeyer authored May 02, 2020
  
  613b8a75
- initialize pointers in order of definition · c18efdbf
  Axel Kohlmeyer authored May 02, 2020
  
  c18efdbf
- make MIN_HBONDS define for reax/c configurable via an input option · 1418ec4a
  Axel Kohlmeyer authored May 01, 2020
  
  1418ec4a
- Merge pull request #1902 from stanmoore1/kk_compute_coord_atom · 8c52032b
  Axel Kohlmeyer authored May 01, 2020
  8c52032b
- Merge pull request #2053 from stanmoore1/kk_remap_mpi · 53ac67f5
  Axel Kohlmeyer authored May 01, 2020
  53ac67f5
- Merge pull request #2054 from stanmoore1/kk_cb2a9e4 · 91d871ec
  Axel Kohlmeyer authored May 01, 2020
  91d871ec
- Add change missed in cb2a9e43 · af3e8b45
  Stan Moore authored May 01, 2020
  
  af3e8b45
- Allow Kokkos remap to turn off Cuda-aware MPI · f8226508
  Stan Moore authored May 01, 2020
  
  f8226508
May 01, 2020
- Add missing paramemter to compute_orientorder_atom docs · 0cf56360
  Stan Moore authored May 01, 2020
  
  0cf56360
- Update docs · 6817355a
  Stan Moore authored May 01, 2020
  
  6817355a
- Use ccache on Ubuntu by default · f9ba4b49
  Richard Berger authored May 01, 2020
  
  f9ba4b49
- Add missing packages for legacy build · d9e0bc5d
  Richard Berger authored May 01, 2020
  
  d9e0bc5d

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