Commits · 2571e187d00fec4630c2f360bcfb37f25570d8c4 · 郑智淋 / lammps · GitLab

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May 01, 2020
- updated README, removed broken soft link to potential · 2571e187
  Tom Swinburne authored May 01, 2020
  
  2571e187
- citation update · 64fdaaec
  Tom Swinburne authored May 01, 2020
  
  64fdaaec
- fixed typo and checked make html · 2ff463cc
  Tom Swinburne authored May 01, 2020
  
  2ff463cc
- updated documentation · 012c3446
  Tom Swinburne authored May 01, 2020
  
  012c3446
- added documentation · 6eb9923c
  Tom Swinburne authored May 01, 2020
  
  6eb9923c
- fixed dimension in error message · 4e0c835e
  Tom Swinburne authored May 01, 2020
  
  4e0c835e
- allowed 0/1 or no/yes · 95e81c7e
  Tom Swinburne authored May 01, 2020
  
  95e81c7e
- removed redundant region check, made com/overdamped "yes" or "no" instead of 0/1 · 7c620f75
  Tom Swinburne authored May 01, 2020
  
  7c620f75
- set com and overdamped flags as keywords with defaults 1,0 · bad3beca
  Tom Swinburne authored May 01, 2020
  
  bad3beca
- updated potential path in example · 79f074eb
  Tom Swinburne authored May 01, 2020
  
  79f074eb
- error messages · feb6e107
  Tom Swinburne authored May 01, 2020
  
  feb6e107
- error messages for fix pafi · e7084797
  Tom Swinburne authored May 01, 2020
  
  e7084797
Apr 30, 2020
- some more tweaks to the example · 910d91bc
  Axel Kohlmeyer authored Apr 29, 2020
  
  910d91bc
- recover compilation with -DLAMMPS_BIGBIG · 6cd1b45a
  Axel Kohlmeyer authored Apr 29, 2020
  
  6cd1b45a
- fix up include files · 1ad85980
  Axel Kohlmeyer authored Apr 29, 2020
  
  1ad85980
- fix documentation translation issues · d3b88ab3
  Axel Kohlmeyer authored Apr 29, 2020
  
  d3b88ab3
- cosmetic change · 42d36e36
  Axel Kohlmeyer authored Apr 29, 2020
  
  42d36e36
- fix minor memory leak · db631c94
  Axel Kohlmeyer authored Apr 29, 2020
  
  db631c94
- add integration into manual and add dummy documentation · cc6b5551
  Axel Kohlmeyer authored Apr 29, 2020
  
  cc6b5551
- update PAFI example: remove unused data, replace potential with existing one, update logs · 46739329
  Axel Kohlmeyer authored Apr 29, 2020
  
  46739329
- Merge branch 'master' into user-pafi · 595bb30e
  Axel Kohlmeyer authored Apr 29, 2020
  
  595bb30e
- Merge pull request #2045 from stanmoore1/kk_team_coul · 5c2f0ecc
  Axel Kohlmeyer authored Apr 29, 2020
  5c2f0ecc
- Merge pull request #2044 from stanmoore1/kk_reax_full · feed7302
  Axel Kohlmeyer authored Apr 29, 2020
  feed7302
- Fix energy tally issue · e10d62c8
  Stan Moore authored Apr 29, 2020
  
  e10d62c8
- Fix Kokkos view runtime issue · 04388c26
  Stan Moore authored Apr 29, 2020
  
  04388c26
Apr 29, 2020
- Merge pull request #2036 from stanmoore1/kk_dihedral_charmm · 7508660d
  Axel Kohlmeyer authored Apr 29, 2020
  7508660d
- Merge branch 'master' into kk_dihedral_charmm · fe9e6736
  Stan Moore authored Apr 29, 2020
  
  fe9e6736
- Merge pull request #2041 from stanmoore1/kk_team_ev · 910d00f5
  Axel Kohlmeyer authored Apr 28, 2020
  910d00f5
- Merge pull request #2035 from stanmoore1/kk_uvm · 17f7bf2f
  Axel Kohlmeyer authored Apr 28, 2020
  17f7bf2f
- Merge pull request #2043 from ellio167/ubuntu-install-docs · e47dc6fe
  Axel Kohlmeyer authored Apr 28, 2020
  e47dc6fe
- Tweak error message · a88364a2
  Stan Moore authored Apr 28, 2020
  
  a88364a2
- Merge branch 'ubuntu-install-docs' of github.com:ellio167/lammps into ubuntu-install-docs · 754d9fab
  Axel Kohlmeyer authored Apr 28, 2020
  
  754d9fab
- list update kokkos flag · b3d89866
  Axel Kohlmeyer authored Apr 28, 2020
  
  b3d89866
- Add explaination of potenentials directory behavior for `lmp_daily` · e9a777e6
  Ryan S. Elliott authored Apr 28, 2020
  
  e9a777e6
- fix underline · 4bb5f998
  Axel Kohlmeyer authored Apr 28, 2020
  
  4bb5f998
- Remove debug output · fa0f10f2
  Stan Moore authored Apr 28, 2020
  
  fa0f10f2
- Removed unused functions · 6ed2adcd
  Stan Moore authored Apr 28, 2020
  
  6ed2adcd
- Remove full neigh list option in Kokkos ReaxFF · 62cdc9d6
  Stan Moore authored Apr 28, 2020
  
  62cdc9d6
- flag commands and paths as literals. · c6dc0cf8
  Axel Kohlmeyer authored Apr 28, 2020
  
  c6dc0cf8
- fix typos in manual · 3392dca7
  Axel Kohlmeyer authored Apr 28, 2020
  
  3392dca7

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