Commits · f73c848ee404be8a704bf247e42b99b14bf8b6d2 · 郑智淋 / lammps · GitLab

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May 31, 2019
- detect and error out when timestep was reset when restarting fixes atom/swap, gcmc, or deposit · f73c848e
  Axel Kohlmeyer authored May 31, 2019
  
  f73c848e
- properly store 64-bit integers for next_reneighbor into double type buffers for restarts of fixes · 4243af30
  Axel Kohlmeyer authored May 30, 2019
  4243af30
May 30, 2019
- Merge pull request #1419 from akohlmey/report-uninstalled-pkg-style · daac3f71
  Axel Kohlmeyer authored May 30, 2019
  daac3f71
- Merge pull request #1474 from stanmoore1/nl_mem · 3bf0a4ba
  Axel Kohlmeyer authored May 30, 2019
  3bf0a4ba
- Merge pull request #1479 from akohlmey/fixup_pair_quip · 9cc16c4f
  Axel Kohlmeyer authored May 30, 2019
  9cc16c4f
- whitespace cleanup · d3cbccff
  Axel Kohlmeyer authored May 29, 2019
  
  d3cbccff
- error out when not using metal units with QUIP · 29d36ffe
  Axel Kohlmeyer authored May 29, 2019
  
  29d36ffe
- update docs for fully supporting hybrid styles · fec2f8f6
  Axel Kohlmeyer authored May 29, 2019
  
  fec2f8f6
- fix off-by-one errors · c0cfceb9
  Axel Kohlmeyer authored May 29, 2019
  
  c0cfceb9
- properly set up pair style quip for hybrid and hybrid/overlay · 12fcf5f5
  Axel Kohlmeyer authored May 29, 2019
  
  12fcf5f5
- remove limitation to hybrid/overlay · cb8d8985
  Axel Kohlmeyer authored May 29, 2019
  
  cb8d8985
May 29, 2019
- avoid memory leak and initialize class member pointers · c8d50c04
  Axel Kohlmeyer authored May 29, 2019
  
  c8d50c04
May 25, 2019
- Don't reallocate views every time in neigh_bond_kokkos · 2ee02cfa
  Stan Moore authored May 24, 2019
  
  2ee02cfa
May 22, 2019
- Merge pull request #1465 from akohlmey/collected-minor-changes · cfad0634
  Axel Kohlmeyer authored May 21, 2019
  cfad0634
- Merge pull request #1464 from akohlmey/group-group-coord-num · bd05228c
  Axel Kohlmeyer authored May 21, 2019
  bd05228c
- Merge pull request #1467 from stanmoore1/eam_kk · 0f1e4b05
  Axel Kohlmeyer authored May 21, 2019
  0f1e4b05
May 21, 2019
- add false positive · d0c6484f
  Axel Kohlmeyer authored May 20, 2019
  
  d0c6484f
- update/correct list of example folders · 0349e9fe
  Axel Kohlmeyer authored May 20, 2019
  
  0349e9fe
- avoid segfault and print more meaningful error message with empty lines in coeff sections · 55116db8
  Axel Kohlmeyer authored May 20, 2019
  
  55116db8
- Fix bug in pair_eam_alloy_kokkos and pair_eam_fs_kokkos · 10419345
  Stan Moore authored May 20, 2019
  
  10419345
May 19, 2019
- sphinxcontrib-spelling has been updated for Sphinx 2.x. remove enforcing to use old version · 50082c28
  Axel Kohlmeyer authored May 18, 2019
  
  50082c28
- remove leftover references to removed MEAM package · e3823a52
  Axel Kohlmeyer authored May 18, 2019
  
  e3823a52
May 18, 2019
- fix typo · 35bb2ac2
  Axel Kohlmeyer authored May 18, 2019
  
  35bb2ac2
- there really isn't a problem with calling this compute multiple times · c7eb9a86
  Axel Kohlmeyer authored May 17, 2019
  
  c7eb9a86
May 16, 2019
- fix typo · fb8d3142
  Axel Kohlmeyer authored May 16, 2019
  
  fb8d3142
- add option to restrict coordination number by group · 27a2d0cb
  Axel Kohlmeyer authored May 16, 2019
  
  27a2d0cb
- remove dead code · 7b264d35
  Axel Kohlmeyer authored May 15, 2019
  
  7b264d35
May 15, 2019
- Merge pull request #1459 from akohlmey/next-patch-release · 267782d6
  Axel Kohlmeyer authored May 14, 2019
  View commits for tag patch_15May2019 patch_15May2019
  267782d6
- Merge pull request #1460 from akohlmey/collected-small-changes · f2b293d9
  Axel Kohlmeyer authored May 14, 2019
  f2b293d9
- fix typo · 6e842ba8
  Axel Kohlmeyer authored May 14, 2019
  
  6e842ba8
- correct repeated words in docs · 30dc7f70
  Axel Kohlmeyer authored May 14, 2019
  
  30dc7f70
- Merge pull request #1461 from lammps/doc-tweak-hyper · 98702cc0
  Axel Kohlmeyer authored May 14, 2019
  98702cc0
- add missing formatting info · 67532684
  Steve Plimpton authored May 14, 2019
  
  67532684
- update logfiles for SPIN package with cubic anisotropy · 2c515113
  Axel Kohlmeyer authored May 14, 2019
  
  2c515113
- should set one_coeff flag to 1 in potentials requiring 'pair_coeff * *' · 1d5ada13
  Axel Kohlmeyer authored May 13, 2019
  
  1d5ada13
- whitespace cleanup in pair style e3b · 4a4dcef7
  Axel Kohlmeyer authored May 13, 2019
  
  4a4dcef7
- Merge pull request #1458 from wmbrownIntel/user-intel-bigbig · 4dc90b36
  Axel Kohlmeyer authored May 14, 2019
  4dc90b36
- Merge pull request #1457 from julient31/fix_cubic_aniso · 091dbfa2
  Axel Kohlmeyer authored May 14, 2019
  091dbfa2
- allow using -DLAMMPS_BIGBIG also with CMake · a26dc1b3
  Axel Kohlmeyer authored May 14, 2019
  
  a26dc1b3
May 14, 2019
- Step version string for next patch release · d8fb17e2
  Axel Kohlmeyer authored May 14, 2019
  
  d8fb17e2

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