Commits · be86db9dd9cde416f0136b282c830e9bf231c59a · 郑智淋 / lammps · GitLab

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Jul 24, 2019
- Update /lib/kim stuff · be86db9d
  Ryan S. Elliott authored Jul 23, 2019
  
  be86db9d
- Fix bug in pair_kim.cpp for partialParticleVirial computation · dd4368dd
  Ryan S. Elliott authored Jul 23, 2019
  
  dd4368dd
Jul 22, 2019
- Merge branch 'kim-simulator-models' of github.com:ellio167/lammps into kim-simulator-models · 36ac47c2
  Ellad Tadmor authored Jul 22, 2019
  
  36ac47c2
- Put in KIM ID for IFF model in kim_commands usage examples · f5beb418
  Ellad Tadmor authored Jul 22, 2019
  
  f5beb418
- Update docs · f2978475
  Ryan S. Elliott authored Jul 21, 2019
  f2978475
- Merge branch 'master' into kim-simulator-models · 03d26f6f
  Ryan S. Elliott authored Jul 21, 2019
  
  03d26f6f
Jul 20, 2019
- Merge pull request #1574 from akohlmey/next_version · f4df5176
  Axel Kohlmeyer authored Jul 20, 2019
  View commits for tag patch_19Jul2019 patch_19Jul2019
  
  f4df5176
- Merge pull request #1571 from stanmoore1/kk_snap_opt · d52540ea
  Axel Kohlmeyer authored Jul 19, 2019
  d52540ea
- Merge pull request #1567 from akohlmey/collected-small-fixes · 981b9a1f
  Axel Kohlmeyer authored Jul 19, 2019
  981b9a1f
- Merge pull request #1575 from akohlmey/better-error-checking-on-parsing · 895d4fa9
  Axel Kohlmeyer authored Jul 19, 2019
  895d4fa9
- Fix memory issue · 502fbfb7
  Stan Moore authored Jul 19, 2019
  
  502fbfb7
- update fix tmd input similar to read_data · 276e3b2d
  Axel Kohlmeyer authored Jul 19, 2019
  
  276e3b2d
- Merge pull request #1573 from ohenrich/user-cgdna · 67b74aea
  Axel Kohlmeyer authored Jul 19, 2019
  67b74aea
- more sscanf() return value checking · e72aef2a
  Axel Kohlmeyer authored Jul 19, 2019
  
  e72aef2a
Jul 19, 2019
- Workaround for GCC internal compiler error · c7bccc5e
  Stan Moore authored Jul 19, 2019
  
  c7bccc5e
- fix typo · d730ef5b
  Axel Kohlmeyer authored Jul 19, 2019
  
  d730ef5b
- Merge pull request #60 from evoyiatzis/patch-1 · 44c9d3c1
  Axel Kohlmeyer authored Jul 19, 2019
  44c9d3c1
- improve parsing of data file header · 1de00aaa
  Axel Kohlmeyer authored Jul 19, 2019
  1de00aaa
- checking return value of ?scanf() calls to detect problems parsing files · 8526e7a4
  Axel Kohlmeyer authored Jul 19, 2019
  
  8526e7a4
- Update compute.txt · 4f7c95d8
  Evangelos Voyiatzis authored Jul 19, 2019
  4f7c95d8
- add metachars '\i' and '\f' to regexp for interger and floating point number chars · 4c328bf8
  Axel Kohlmeyer authored Jul 19, 2019
  
  4c328bf8
- step version string for next patch release · babbdaff
  Axel Kohlmeyer authored Jul 19, 2019
  
  babbdaff
- Clarified explanation of new example3 · c2643a51
  Oliver Henrich authored Jul 19, 2019
  
  c2643a51
- Removed references to pair_oxdna2_stk · 0ee0ea10
  Oliver Henrich authored Jul 19, 2019
  
  0ee0ea10
- Added comment on new duplex3 · 57fd9723
  Oliver Henrich authored Jul 19, 2019
  
  57fd9723
- Updated extended documentation · e2a7cdc4
  Oliver Henrich authored Jul 19, 2019
  
  e2a7cdc4
- Merge pull request #1570 from julient31/spin-update · 92b53c7b
  Axel Kohlmeyer authored Jul 19, 2019
  92b53c7b
- Updated input and log files, amended comment in data files · 7bf97577
  Oliver Henrich authored Jul 19, 2019
  
  7bf97577
- Corrected virial, altered calculation of stacking strength · 3acb09e3
  Oliver Henrich authored Jul 19, 2019
  
  3acb09e3
- Add optimized version of Kokkos SNAP · e5fffa59
  Stan Moore authored Jul 18, 2019
  
  e5fffa59
Jul 18, 2019
- Commit2 JT 071719 · 22b73a31
  julient31 authored Jul 17, 2019
  22b73a31
- Commit JT 071719 · 60ebc08d
  julient31 authored Jul 17, 2019
  60ebc08d
- fix issue #1568 · 856efa28
  Axel Kohlmeyer authored Jul 17, 2019
  
  856efa28
- include rmass[] in border communication. will otherwise trigger issues with fix shake. · 02b0fb45
  Axel Kohlmeyer authored Jul 17, 2019
  
  02b0fb45
- let CMake configuration default to Release with debug settings · bcf600d7
  Axel Kohlmeyer authored Jul 17, 2019
  bcf600d7
- refactor FFT handling in CMake module for KSPACE. · 06275b03
  Axel Kohlmeyer authored Jul 17, 2019
  06275b03
Jul 17, 2019
- Update to kim-api-2.1.0 release · 354f4d19
  Ryan S. Elliott authored Jul 16, 2019
  
  354f4d19
- kim_query check for explicit 'model=' key in arguments (give error if present). · 5b4f77b9
  Ryan S. Elliott authored Jul 16, 2019
  
  5b4f77b9
- Updated openkim.org documentation URLs to new /doc/* locations · b61b4823
  Ellad Tadmor authored Jul 16, 2019
  
  b61b4823
- Updated kim_query documentation to new format · 658cda9b
  Ellad Tadmor authored Jul 16, 2019
  
  658cda9b

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