Commits · bcb6e1be4fd272f3ea4d0be0b56b6976b3a5b8de · 郑智淋 / lammps · GitLab

Gitlab 现已全面支持 git over ssh 与 git over https。通过 HTTPS 访问请配置带有 read_repository / write_repository 权限的 Personal access token。通过 SSH 端口访问请使用 22 端口或 13389 端口。如果使用CAS注册了账户但不知道密码，可以自行至设置中更改；如有其他问题，请发邮件至 service@cra.moe 寻求协助。

Apr 06, 2019
- disable fdotr for virial also for regular pair style reax/c · bcb6e1be
  Axel Kohlmeyer authored Apr 06, 2019
  
  bcb6e1be
- disallow using fdotr for computing virial contributions with reax/c/omp · bca7364b
  Axel Kohlmeyer authored Apr 06, 2019
  
  bca7364b
- clang can be installed supporting OpenMP without having omp.h installed: add check · 9334c72c
  Axel Kohlmeyer authored Apr 06, 2019
  
  9334c72c
- add code to build msi2lmp with CMake · f10534a7
  Axel Kohlmeyer authored Apr 05, 2019
  
  f10534a7
- avoid segfault when catching command line flag errors with EXCEPTIONS enabled · de0938da
  Axel Kohlmeyer authored Apr 05, 2019
  
  de0938da
- silence compiler warnings, remove dead code · 3d7a4fb9
  Axel Kohlmeyer authored Apr 05, 2019
  
  3d7a4fb9
- add preset to make it easier to use clang with OpenMP and MPI · d17553d8
  Axel Kohlmeyer authored Apr 05, 2019
  
  d17553d8
- silence compiler warnings · e56d69a2
  Axel Kohlmeyer authored Apr 05, 2019
  
  e56d69a2
- Merge pull request #1409 from akohlmey/collected-small-changes · ac7312ca
  Axel Kohlmeyer authored Apr 05, 2019
  ac7312ca
- Merge pull request #1399 from rtoijala/fix-elstop · ed905968
  Axel Kohlmeyer authored Apr 05, 2019
  ed905968
- Merge pull request #1404 from akohlmey/compute-local-bugfix · 7f040a36
  Axel Kohlmeyer authored Apr 05, 2019
  7f040a36
Apr 05, 2019
- Merge branch 'pair_kim_fix' of https://github.com/ellio167/lammps into collected-small-changes · 05993a79
  Axel Kohlmeyer authored Apr 05, 2019
  
  05993a79
- Fix pointer assignment in pair_kim · 175f3ee6
  Ryan S. Elliott authored Apr 05, 2019
  175f3ee6
- resolve toctree and paper anchor issues · 2e1da295
  Axel Kohlmeyer authored Apr 05, 2019
  
  2e1da295
- two more false positives · 2757e4e6
  Axel Kohlmeyer authored Apr 05, 2019
  
  2757e4e6
- reword and reformat text in Howto_bioFF.txt a little bit. add warnings about... · 85a0461a
  Axel Kohlmeyer authored Apr 05, 2019
  85a0461a
- Merge branch 'patch-1' of https://github.com/evoyiatzis/lammps into collected-small-changes · 20cbe1ed
  Axel Kohlmeyer authored Apr 05, 2019
  
  20cbe1ed
- Include info for COMPASS in the Howto section · 5d3801cb
  Evangelos Voyiatzis authored Apr 05, 2019
  
  5d3801cb
- the GCC folks did it again. :-( · 383e206c
  Axel Kohlmeyer authored Apr 05, 2019
  
  383e206c
- fix stupid typo · 8b2a8ad0
  Axel Kohlmeyer authored Apr 05, 2019
  
  8b2a8ad0
- stop with error or print a warning when the system or atom ids get to large for reax/c pair styles · 42e8a761
  Axel Kohlmeyer authored Apr 05, 2019
  
  42e8a761
- remove trailing whitespace · 4f026b9b
  Axel Kohlmeyer authored Apr 05, 2019
  
  4f026b9b
- Merge branch 'mc-bigbig-fix' of https://github.com/rtoijala/lammps into collected-small-changes · 76dfcc1d
  Axel Kohlmeyer authored Apr 05, 2019
  
  76dfcc1d
- Merge branch 'master' into collected-small-changes · 95433356
  Axel Kohlmeyer authored Apr 05, 2019
  
  95433356
- implement different -DLAMMPS_BIGBIG workaround without breaking format · f4159ff5
  Axel Kohlmeyer authored Apr 05, 2019
  
  f4159ff5
- fix bug reported in issue #1410 · e359e801
  Axel Kohlmeyer authored Apr 04, 2019
  
  e359e801
- more accurate matching of styles using utils::strmatch() · dbbf198e
  Axel Kohlmeyer authored Apr 04, 2019
  
  dbbf198e
- silence compiler warnings · df94e80b
  Axel Kohlmeyer authored Apr 04, 2019
  
  df94e80b
- dead code removal · 4003387f
  Axel Kohlmeyer authored Apr 04, 2019
  
  4003387f
- protect against possible buffer overflow · ab5c3b03
  Axel Kohlmeyer authored Apr 04, 2019
  
  ab5c3b03
- make format macros in USER-REAXC compatible with -DLAMMPS_BIGBIG · 78bab6ee
  Axel Kohlmeyer authored Apr 04, 2019
  
  78bab6ee
- update USER-PLUMED support for version 2.5.1 and fix bug in Install.py script · c52a330a
  Axel Kohlmeyer authored Apr 04, 2019
  
  c52a330a
- add sanity check on plumed pre-installed path location · 265ad451
  Axel Kohlmeyer authored Apr 04, 2019
  
  265ad451
- Merge pull request #1406 from akohlmey/fix-some-64-bit-integer-issues · 605524ab
  Axel Kohlmeyer authored Apr 04, 2019
  605524ab
- Merge pull request #1367 from mkanski/reax_better_errors · 968ac3d8
  Axel Kohlmeyer authored Apr 04, 2019
  968ac3d8
- print more meaningful error message when trying to access individual data from... · 81dd96f9
  Axel Kohlmeyer authored Apr 04, 2019
  81dd96f9
Apr 04, 2019
- flag intended fallthrough cases for GNU compilers · 50427ce0
  Axel Kohlmeyer authored Apr 04, 2019
  
  50427ce0
- use tagint instead of int when communicating atom ids · a9c376f2
  Axel Kohlmeyer authored Apr 04, 2019
  
  a9c376f2
- avoid segfault in Special::angle_trim() if only angles or only dihedrals are defined · 88d160f8
  Axel Kohlmeyer authored Apr 04, 2019
  
  88d160f8
- fix 32-bit/64-bit overflow issue in expression · 8c03f510
  Axel Kohlmeyer authored Apr 04, 2019
  
  8c03f510

CRA Git | Maintained and supported by SUSTech CRA and CCSE