Commits · c581e9349adea8176de5033b5febe534f3e4aeb8 · 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。

May 12, 2019
- update interlayer potential examples for now requiring CH.rebo potential file with rebo pair style · c581e934
  Axel Kohlmeyer authored May 11, 2019
  
  c581e934
May 11, 2019
- correctly handle coeff statement for ilp/graphene/hbn · b2942cba
  Axel Kohlmeyer authored May 10, 2019
  
  b2942cba
- error out when offset flag is unset via "pair_modify shift no" · c8635996
  Axel Kohlmeyer authored May 10, 2019
  
  c8635996
May 10, 2019
- fix handline of setflag and coeffs to correctly work with system, that have extra atom types. · 238382e0
  Axel Kohlmeyer authored May 10, 2019
  
  238382e0
- Merge pull request #1452 from akohlmey/github-rebo-bugfix · 928600a8
  Axel Kohlmeyer authored May 09, 2019
  928600a8
- Merge pull request #1448 from akohlmey/collected-small-changes · 7b2d526f
  Axel Kohlmeyer authored May 09, 2019
  7b2d526f
May 08, 2019
- corrections to documentation and implementation of pair styles lj/mdf, buck/mdf, and lennard/mdf · 711cd412
  Axel Kohlmeyer authored May 07, 2019
  
  711cd412
- correct formula for lennard/mdf potential · 45e6ed01
  Axel Kohlmeyer authored May 07, 2019
  
  45e6ed01
- add support for write_data/write_coeff to pair style lj/mdf · 8c193b8c
  Axel Kohlmeyer authored May 07, 2019
  
  8c193b8c
- correction of the incomplete implementation warning in write_coeff · 12f8834b
  Axel Kohlmeyer authored May 07, 2019
  
  12f8834b
May 07, 2019
- Merge pull request #1449 from akohlmey/fix-print-w-variable-step · a87d8e12
  Axel Kohlmeyer authored May 06, 2019
  a87d8e12
- Merge pull request #1364 from stanmoore1/kk_binsize · cc306881
  Axel Kohlmeyer authored May 06, 2019
  cc306881
- Merge pull request #1438 from giacomofiorin/colvars-update · b3f4e205
  Axel Kohlmeyer authored May 06, 2019
  b3f4e205
- Merge pull request #1447 from ohenrich/user-cgdna · 8212dca6
  Axel Kohlmeyer authored May 06, 2019
  8212dca6
May 05, 2019
- make sure fix deform related variables are always initialized to avoid issues... · bac8b267
  Axel Kohlmeyer authored May 05, 2019
  bac8b267
- set variant flag in USER-INTEL (AI)REBO(-M) styles · c28cf9f7
  Axel Kohlmeyer authored May 04, 2019
  
  c28cf9f7
- update reference date and examples for changes in REBO · fd3eade6
  Axel Kohlmeyer authored May 04, 2019
  
  fd3eade6
- align USER-INTEL versions of REBO/AIREBO with MANYBODY implementation · 1214e6ea
  Axel Kohlmeyer authored May 04, 2019
  
  1214e6ea
- Merge branch 'master' into github-rebo-bugfix · c2b2be5d
  Axel Kohlmeyer authored May 04, 2019
  
  c2b2be5d
- remove unused variables · a7226bd9
  Axel Kohlmeyer authored May 04, 2019
  
  a7226bd9
- support using a variable instead of a constant interval for fix print · a70f9c4f
  Axel Kohlmeyer authored May 04, 2019
  
  a70f9c4f
May 04, 2019
- apply bugfix from PR #1446 to allow switching from variable thermo output back to evenly spaced · 3baf15ed
  Axel Kohlmeyer authored May 04, 2019
  
  3baf15ed
May 02, 2019
- Homogenised label of relative hbond and stk strength to conform with oxDNA literature · d7dd7812
  Oliver Henrich authored May 02, 2019
  
  d7dd7812
- Merge pull request #1444 from akohlmey/fix-intel-lrt-bug · 97ce76e7
  Axel Kohlmeyer authored May 01, 2019
  97ce76e7
May 01, 2019
- teach CMake that verlet/lrt/intel depends on KSPACE · d7da1db7
  Axel Kohlmeyer authored May 01, 2019
  
  d7da1db7
- Merge pull request #1423 from akohlmey/next-patch-release · 4f3c87f8
  Axel Kohlmeyer authored Apr 30, 2019
  View commits for tag patch_30Apr2019 patch_30Apr2019
  4f3c87f8
- Merge pull request #1437 from lammps/gpu_cmake_bugfix · 02d5f17a
  Axel Kohlmeyer authored Apr 30, 2019
  02d5f17a
- Update Colvars library to version 2019-04-26 · 7e00acce
  Giacomo Fiorin authored Apr 30, 2019
  7e00acce
- Fix GenerateOpenCLHeader CMake utilitiy to avoid uncompilable CL code · 7fbd409f
  Richard Berger authored Apr 30, 2019
  
  7fbd409f
- Merge pull request #1434 from ellio167/reaxc-multi-instance-fix · faa0da99
  Axel Kohlmeyer authored Apr 30, 2019
  faa0da99
- Merge pull request #1436 from rbberger/gpu_opencl_bugfixes · e08080ca
  Axel Kohlmeyer authored Apr 30, 2019
  e08080ca
Apr 30, 2019
- Merge remote-tracking branch 'origin/master' into gpu_opencl_bugfixes · 7b7f405d
  Richard Berger authored Apr 30, 2019
  
  7b7f405d
- Add missing includes to OpenCL CMake builds of re_squared and tersoff kernels · 66d94572
  Richard Berger authored Apr 30, 2019
  
  66d94572
- Fix OpenCL compilation errors due to bad comments in macros · 8145c502
  Richard Berger authored Apr 30, 2019
  
  8145c502
- Merge pull request #1435 from akohlmey/collected-small-changes · 0005ee3e
  Axel Kohlmeyer authored Apr 29, 2019
  0005ee3e
- Merge pull request #1420 from dsbolin/gran_mods · 8d9697db
  Axel Kohlmeyer authored Apr 29, 2019
  8d9697db
- Merge pull request #1421 from julient31/gneb_spin · f0525090
  Axel Kohlmeyer authored Apr 29, 2019
  f0525090
Apr 29, 2019
- Commit2 JT 042919 · 97baee49
  julient31 authored Apr 29, 2019
  97baee49
- equilibrium angle must be converted to radians in angle style table · 96e51d11
  Axel Kohlmeyer authored Apr 29, 2019
  
  96e51d11
- Commit JT 042919 · 0bb2e004
  julient31 authored Apr 29, 2019
  0bb2e004

CRA Git | Maintained and supported by SUSTech CRA and CCSE