Commits · c6f637f78f2233d03985edc207833ee18b1f465b · 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。

Oct 18, 2019
- Merge branch 'master' into user-cgdna · c6f637f7
  Oliver Henrich authored Oct 17, 2019
  
  c6f637f7
- Added log files · 5652154b
  Oliver Henrich authored Oct 17, 2019
  
  5652154b
Oct 17, 2019
- Corrected r_stk_high coefficient · b29a9620
  Oliver Henrich authored Oct 17, 2019
  
  b29a9620
- Added description of quasi-unique base pairing · 68dc2a79
  Oliver Henrich authored Oct 17, 2019
  
  68dc2a79
- Modified initialisation of sequence-dependent stacking and h-bonding strength · d1581f20
  Oliver Henrich authored Oct 17, 2019
  
  d1581f20
- Merge pull request #1726 from akohlmey/singularity · 4e6f83ce
  Axel Kohlmeyer authored Oct 16, 2019
  4e6f83ce
- Merge pull request #1724 from lammps/lepton-cxx11-handling · 437c0e59
  Axel Kohlmeyer authored Oct 16, 2019
  437c0e59
- Merge pull request #1728 from evoyiatzis/patch-2 · 7d5bf968
  Axel Kohlmeyer authored Oct 16, 2019
  7d5bf968
- Update false_positives.txt · 10031e91
  Evangelos Voyiatzis authored Oct 16, 2019
  10031e91
- Update compute_gyration_shape.txt · 38c819c2
  Evangelos Voyiatzis authored Oct 16, 2019
  38c819c2
Oct 16, 2019
- Add -DCOLVARS_LEPTON, track user's choice via DISABLE_CXX11_REQUIREMENT · 2c9ae7ab
  Giacomo Fiorin authored Oct 16, 2019
  
  2c9ae7ab
- Merge pull request #1727 from yafshar/master · d02f8067
  Axel Kohlmeyer authored Oct 16, 2019
  d02f8067
- Update compute_gyration_shape.cpp · b023e93a
  Evangelos Voyiatzis authored Oct 16, 2019
  b023e93a
- Merge pull request #1725 from charlessievers/fix_gjf_bugs · 6b0aba9d
  Axel Kohlmeyer authored Oct 16, 2019
  6b0aba9d
- Merge branch 'master' into user-cgdna · 44fb441f
  Oliver Henrich authored Oct 15, 2019
  
  44fb441f
- Set KIM pointer appropriately for Energy · 681a0e12
  Yaser Afshar authored Oct 15, 2019
  
  681a0e12
Oct 15, 2019
- add reference outputs to example input · bfcab685
  Axel Kohlmeyer authored Oct 15, 2019
  
  bfcab685
- Merge branch 'master' into fix_gjf_bugs · 3ab4be85
  Axel Kohlmeyer authored Oct 15, 2019
  
  3ab4be85
- fix incorrect order of commandline flags in example · 645df22e
  Axel Kohlmeyer authored Oct 15, 2019
  
  645df22e
- Singularity definition files for compiling LAMMPS · e4bbfc99
  Axel Kohlmeyer authored Oct 15, 2019
  
  e4bbfc99
- Merge pull request #1719 from akohlmey/pppm-tip4p-triclinic · e7d1d547
  Axel Kohlmeyer authored Oct 15, 2019
  e7d1d547
- prefer local mpi.h file by using '#include "mpi.h"' instead of '#include <mpi.h>' · 37456733
  Axel Kohlmeyer authored Oct 15, 2019
  
  37456733
- Fixed vfull tally bug in KOKKOS · d53b882a
  charlie sievers authored Oct 14, 2019
  
  d53b882a
- Fixed vfull tally bug · 623e8078
  charlie sievers authored Oct 14, 2019
  
  623e8078
- Corrected differing syntax in fix_langevin.cpp · a517cffd
  charlie sievers authored Oct 14, 2019
  
  a517cffd
- Updated gjf examples · 9c5c33e8
  charlie sievers authored Oct 14, 2019
  
  9c5c33e8
- Conventional make tweaks to handle Lepton C++11 requirement · b6af3c7a
  Giacomo Fiorin authored Oct 14, 2019
  
  b6af3c7a
- Add CMake recipe for USER-COLVARS, test C++11 before including Lepton · b6a6638f
  Giacomo Fiorin authored Oct 14, 2019
  
  b6a6638f
- Upgrade Lepton library to version 2019-06-02 · e04a18fc
  Giacomo Fiorin authored Oct 14, 2019
  
  e04a18fc
Oct 14, 2019
- don't include USER-PLUMED in "most" preset · 28c9255f
  Axel Kohlmeyer authored Oct 14, 2019
  
  28c9255f
- avoid compilation failure without installed packages · 25b114ee
  Axel Kohlmeyer authored Oct 13, 2019
  
  25b114ee
- fix typo and port find_M() code to USER-OMP version · be01cfff
  Axel Kohlmeyer authored Oct 14, 2019
  
  be01cfff
- Merge branch 'master' into user-cgdna · 79809975
  Oliver Henrich authored Oct 14, 2019
  
  79809975
- correct pppm/tip4p to give correct forces with tip4p with triclinic cells · 94b80f9a
  Axel Kohlmeyer authored Oct 13, 2019
  
  94b80f9a
Oct 12, 2019
- Merge pull request #1716 from akohlmey/topology-interaction-check · 8f431b0f
  Axel Kohlmeyer authored Oct 11, 2019
  8f431b0f
- Merge pull request #1714 from athomps/clebsch-gordan-check · cd0e408d
  Axel Kohlmeyer authored Oct 11, 2019
  cd0e408d
- Added comm->me check · 346b3c53
  Aidan Thompson authored Oct 11, 2019
  
  346b3c53
Oct 11, 2019
- added "likewise" as suggested by @sjplimp · 29574eaa
  Axel Kohlmeyer authored Oct 11, 2019
  
  29574eaa
- document freshly added warnings in header and manual · da56c7fc
  Axel Kohlmeyer authored Oct 11, 2019
  
  da56c7fc
- print warnings if force styles and topology data are inconsistent · 7bf2b997
  Axel Kohlmeyer authored Oct 11, 2019
  7bf2b997

CRA Git | Maintained and supported by SUSTech CRA and CCSE