Commits · 13296031843ca5e839e26e86166388f866ed100b · 郑智淋 / lammps · GitLab

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May 05, 2020
- 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
- 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
- Made orientorder check safer · 71159c4a
  Aidan Thompson authored Apr 30, 2020
  
  71159c4a
- avoid segfaults when selecting a subset on MPI ranks that will not have any... · 89f119e8
  Axel Kohlmeyer authored Apr 30, 2020
  89f119e8
- Merge pull request #2015 from jvita/fix-spline-meam-binning · d382db1c
  Axel Kohlmeyer authored Apr 30, 2020
  d382db1c
- Add missing symlink · 814f45d7
  Richard Berger authored Apr 30, 2020
  
  814f45d7
- Merge pull request #1760 from lammps/fix-dummy · 6913e3a6
  Axel Kohlmeyer authored Apr 30, 2020
  6913e3a6
- Allow compute_coord_atom to use Kokkos orientorder · 14322a99
  Stan Moore authored Apr 30, 2020
  
  14322a99
- Pre-compute 1/h and store · ac45befb
  Josh Vita authored Apr 30, 2020
  
  ac45befb
- Merge branch 'master' of https://github.com/lammps/lammps into kk_compute_coord_atom · 23c5384b
  Stan Moore authored Apr 30, 2020
  
  23c5384b
- Merge pull request #2046 from stanmoore1/kk_cutneighsq · 6b8f26e8
  Axel Kohlmeyer authored Apr 30, 2020
  6b8f26e8
- Minor fix in doc · ae3c804c
  Zheng Gong authored Apr 30, 2020
  
  ae3c804c

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