Commits · 2b288bc9e05e39fd58c6709636451beccc0da20b · 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。

Jul 31, 2019
- add missing mode keyword for substitution · 2b288bc9
  Axel Kohlmeyer authored Jul 30, 2019
  
  2b288bc9
- handle shared library extension on macosx for plumed runtime build · 882b2301
  Axel Kohlmeyer authored Jul 30, 2019
  
  882b2301
- special case for MacOSX not needed · 528ec75f
  Axel Kohlmeyer authored Jul 30, 2019
  
  528ec75f
- more improvements to CMake build for USER-PLUMED on MacOSX · f5bf86b3
  Axel Kohlmeyer authored Jul 30, 2019
  f5bf86b3
- mention that cstdlib is included in lmptype.h now, too. · d4503a05
  Axel Kohlmeyer authored Jul 30, 2019
  
  d4503a05
- move inline functions to the only place they are used. no need to use size_t... · 47fc31d0
  Axel Kohlmeyer authored Jul 30, 2019
  47fc31d0
- Merge branch 'master' into collected-small-changes · 2d93a713
  Axel Kohlmeyer authored Jul 30, 2019
  
  2d93a713
- include cstdlib in lmptype.h since we define ATOX() macros. · 6d94fc1b
  Axel Kohlmeyer authored Jul 30, 2019
  
  6d94fc1b
Jul 30, 2019
- Merge pull request #1440 from ellio167/kim-simulator-models · 8fa4efa0
  Axel Kohlmeyer authored Jul 30, 2019
  8fa4efa0
- Merge pull request #1512 from mkanski/rotate_molecules · 3eadfa15
  Axel Kohlmeyer authored Jul 30, 2019
  3eadfa15
- fix typo · b0bccfd8
  Axel Kohlmeyer authored Jul 30, 2019
  
  b0bccfd8
- add missing parenthesis · 3559c25b
  Axel Kohlmeyer authored Jul 30, 2019
  
  3559c25b
- add configuration for linking VTK 7.1 on Ubuntu 18.04 · 3fdadb58
  Axel Kohlmeyer authored Jul 30, 2019
  
  3fdadb58
- update PLUMED support to version 2.5.2 · 7ab7691c
  Axel Kohlmeyer authored Jul 30, 2019
  
  7ab7691c
- correct documentation URL for PLUMED · 3ee86470
  Axel Kohlmeyer authored Jul 30, 2019
  
  3ee86470
- fix grammar error · d201d6c2
  mkanski authored Jul 30, 2019
  
  d201d6c2
- Merge pull request #1529 from rupertnash/compute_momentum · 88523fdd
  Axel Kohlmeyer authored Jul 29, 2019
  88523fdd
- Update to kim-api-2.1.2 · c9f3f99e
  Ryan S. Elliott authored Jul 29, 2019
  
  c9f3f99e
- clean up includes and whitespace · 4289dbb7
  Axel Kohlmeyer authored Jul 29, 2019
  
  4289dbb7
- Merge pull request #1583 from evoyiatzis/gyration_shape · d2c4989d
  Axel Kohlmeyer authored Jul 29, 2019
  d2c4989d
- Merge pull request #1511 from jdevemy/master · edf64ed1
  Axel Kohlmeyer authored Jul 29, 2019
  edf64ed1
- one more fixup for compatibility for old PDF build scheme · 9004ebc3
  Axel Kohlmeyer authored Jul 29, 2019
  
  9004ebc3
- replace non-ascii characters with ASCII equivalents · 90c67884
  Axel Kohlmeyer authored Jul 29, 2019
  
  90c67884
- fix up legacy doc building for final kim doc files · 9f276be0
  Axel Kohlmeyer authored Jul 29, 2019
  
  9f276be0
- Merge branch 'master' into kim-simulator-models · 6833d6de
  Axel Kohlmeyer authored Jul 29, 2019
  6833d6de
- simplify checking for per chunk compute · 5cb02781
  Axel Kohlmeyer authored Jul 29, 2019
  
  5cb02781
- use utils::strmatch() to more safely detect gravity fix · 180c90ac
  Axel Kohlmeyer authored Jul 29, 2019
  
  180c90ac
- Merge pull request #1542 from akohlmey/improve-include-consistency · 2e685083
  Axel Kohlmeyer authored Jul 29, 2019
  2e685083
- Merge pull request #1548 from jrgissing/bond/react-clarify-how-stabilization-works · 7043b9f6
  Axel Kohlmeyer authored Jul 29, 2019
  7043b9f6
- Merge pull request #1576 from Adrian-Diaz/patch-rcb · 91e0bebd
  Axel Kohlmeyer authored Jul 29, 2019
  91e0bebd
- Merge pull request #1581 from akohlmey/comm-cutoff-with-bond · d6886243
  Axel Kohlmeyer authored Jul 29, 2019
  d6886243
- Merge pull request #1588 from akohlmey/cmake-installation-folder-bugfix · 191044ab
  Axel Kohlmeyer authored Jul 29, 2019
  191044ab
- Adjust write_echo() within kim_query · c03e9c97
  Ryan S. Elliott authored Jul 29, 2019
  
  c03e9c97
- make kim_query log of variable setting look more like other KIM log messages · 2ffc3529
  Axel Kohlmeyer authored Jul 29, 2019
  2ffc3529
- Merge branch 'kim-simulator-models' of github.com:ellio167/lammps into kim-simulator-models · 514608b8
  Axel Kohlmeyer authored Jul 29, 2019
  
  514608b8
- add write_echo() method to Input class for logging implicit commands where the... · ea4107c4
  Axel Kohlmeyer authored Jul 29, 2019
  ea4107c4
- Add details about installing models to KIM example input · 0f059c56
  Ryan S. Elliott authored Jul 29, 2019
  
  0f059c56
- cleanup of compute gyration/shape code. · 0820ebc1
  Axel Kohlmeyer authored Jul 29, 2019
  0820ebc1
- fully integrate compute gyration/shape into doc build system · 0beb39c1
  Axel Kohlmeyer authored Jul 29, 2019
  
  0beb39c1
- Add logging to kim_query (compile error at moment) · 2afc498a
  Ryan S. Elliott authored Jul 29, 2019
  
  2afc498a

CRA Git | Maintained and supported by SUSTech CRA and CCSE