Commits · 572235e66aa64dc4c7956e4589a65ef295bc8f81 · 郑智淋 / lammps · GitLab

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Sep 18, 2019
- Merge pull request #1660 from tanmoy7989/reorder_remd_traj · 572235e6
  Axel Kohlmeyer authored Sep 17, 2019
  572235e6
- some more whitespace cleanup · 28b634f2
  Axel Kohlmeyer authored Sep 17, 2019
  
  28b634f2
- Merge branch 'reorder_remd_traj' of github.com:tanmoy7989/lammps into reorder_remd_traj · fd63b08f
  Axel Kohlmeyer authored Sep 17, 2019
  fd63b08f
- whitespace cleanup, mention pip install --user · 636a8aae
  Axel Kohlmeyer authored Sep 17, 2019
  
  636a8aae
Sep 17, 2019
- Merge pull request #1662 from akohlmey/hybrid-svector-fix · fb7a439c
  Axel Kohlmeyer authored Sep 17, 2019
  fb7a439c
- replace tabs · 3e4f1d1c
  Axel Kohlmeyer authored Sep 17, 2019
  
  3e4f1d1c
- Merge branch 'master' into hybrid-svector-fix · f81c1aae
  Axel Kohlmeyer authored Sep 16, 2019
  
  f81c1aae
- Merge pull request #1677 from athomps/update-steinhardt-example · 357ca460
  Axel Kohlmeyer authored Sep 16, 2019
  357ca460
- Merge branch 'master' to clear KOKKOS CI failures · e51e2588
  Axel Kohlmeyer authored Sep 16, 2019
  
  e51e2588
- Merge pull request #1669 from stanmoore1/kk_ports · d357259c
  Axel Kohlmeyer authored Sep 16, 2019
  d357259c
Sep 14, 2019
- Added log files and updated README · 790d7d9f
  Aidan Thompson authored Sep 13, 2019
  
  790d7d9f
- Merge branch 'master' into kk_ports · c1e7294b
  Axel Kohlmeyer authored Sep 13, 2019
  
  c1e7294b
- Merge branch 'master' into hybrid-svector-fix · e8f94447
  Axel Kohlmeyer authored Sep 13, 2019
  
  e8f94447
- add omitted cmake entries for recent KOKKOS package changes · d62ef0df
  Axel Kohlmeyer authored Sep 12, 2019
  
  d62ef0df
- update docs to indicate KOKKOS support for dihedral style harmonic · 4593e159
  Axel Kohlmeyer authored Sep 13, 2019
  
  4593e159
- tweak docs for dump_modify units command some more · 5a07db84
  Axel Kohlmeyer authored Sep 13, 2019
  
  5a07db84
Sep 13, 2019
- add missing include for compiling with intel compilers without TBB · ca301f04
  Axel Kohlmeyer authored Sep 13, 2019
  
  ca301f04
- make certain that nvalues class member is initialized · 548fd40e
  Axel Kohlmeyer authored Sep 13, 2019
  
  548fd40e
- remove misspelled word from false positives list · 7386956d
  Axel Kohlmeyer authored Sep 13, 2019
  
  7386956d
- Merge pull request #1670 from akohlmey/fix-rigid-nh-no-extended · be0587ea
  Axel Kohlmeyer authored Sep 13, 2019
  be0587ea
- fix typo · 1f9decad
  Axel Kohlmeyer authored Sep 13, 2019
  
  1f9decad
- explain new semantics for accessing pN for hybrid styles · fa164fff
  Axel Kohlmeyer authored Sep 12, 2019
  
  fa164fff
- separate out svector handling to new virtual functions, so it can be handled... · 1e0cd0b2
  Axel Kohlmeyer authored Sep 12, 2019
  1e0cd0b2
Sep 12, 2019
- add omitted cmake entries for recent KOKKOS package changes · 5d0c86be
  Axel Kohlmeyer authored Sep 12, 2019
  
  5d0c86be
- Merge pull request #1648 from athomps/add_w_l_orientorder · ce7c3e68
  Axel Kohlmeyer authored Sep 11, 2019
  ce7c3e68
- Merge pull request #1650 from stanmoore1/kk_minimize · df63a537
  Axel Kohlmeyer authored Sep 11, 2019
  df63a537
- Merge pull request #1667 from edwardsmith999/master · 102db258
  Axel Kohlmeyer authored Sep 11, 2019
  102db258
- Merge pull request #1668 from stanmoore1/kk_hpe · 07cda306
  Axel Kohlmeyer authored Sep 11, 2019
  07cda306
- Merge pull request #1664 from jrgissing/comm_modify-docs-tweak · d918b17e
  Axel Kohlmeyer authored Sep 11, 2019
  d918b17e
Sep 11, 2019
- Added a missing break statement in fz component · 34f73fdd
  Ed authored Sep 11, 2019
  
  34f73fdd
Sep 10, 2019
- bugfix for pair style lubricate when used with walls · f34f133f
  Axel Kohlmeyer authored Sep 09, 2019
  
  f34f133f
- fixed alphabetical ordering in Tools.txt and added a line highlighting the tool in temper.txt · cde16580
  tanmoy.7989 authored Sep 09, 2019
  
  cde16580
- correct overlapping definitions of bitmask flags · 493f1cf6
  Axel Kohlmeyer authored Sep 09, 2019
  
  493f1cf6
- Compute pe doesn't touch atom data · 345d6cc7
  Stan Moore authored Sep 09, 2019
  
  345d6cc7
- Small changes to base dihedral_harmonic class · fb0dee49
  Stan Moore authored Sep 09, 2019
  
  fb0dee49
- Add Kokkos verison of dihedral_harmonic · c36c4d50
  Stan Moore authored Sep 09, 2019
  
  c36c4d50
- Add support for HPE MPI to Kokkos package · 51786a45
  Stan Moore authored Sep 09, 2019
  
  51786a45
Sep 09, 2019
- Adjusted compute_bond_local to allow components of force to be obtained · b08b3b90
  Ed authored Sep 09, 2019
  
  b08b3b90
- added a line to tools/README and fixed the alphabetical ordering in docs · 91a19719
  tanmoy.7989 authored Sep 09, 2019
  
  91a19719
- vectorized in parts and made changes as suggested by evoyiatzis · f41a1f83
  tanmoy.7989 authored Sep 08, 2019
  
  f41a1f83

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