Commits · f9bee338ddd909db09817464e2f6c47ba0f30a63 · 郑智淋 / lammps · GitLab

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Feb 18, 2020
- Merge pull request #1875 from akohlmey/collected-small-fixes · f9bee338
  Axel Kohlmeyer authored Feb 17, 2020
  f9bee338
- Merge pull request #1879 from akohlmey/user-plumed-update · c8561ece
  Axel Kohlmeyer authored Feb 17, 2020
  c8561ece
- Merge pull request #1882 from agiliopadua/docs · d01b0ed5
  Axel Kohlmeyer authored Feb 17, 2020
  d01b0ed5
Feb 15, 2020
- Convert documentation of compute_fep and pair_fep_soft to mathjax · 0e2604fc
  Agilio Padua authored Feb 15, 2020
  
  0e2604fc
- fix typo in comment · f4b64e8d
  Axel Kohlmeyer authored Feb 14, 2020
  
  f4b64e8d
- we need more specific matches to correctly handle TIME and TIMESTEP items · 07c5adc5
  Axel Kohlmeyer authored Feb 14, 2020
  
  07c5adc5
- initialize cut_respa to NULL in constructor to avoid uninitialized access · 381ac888
  Axel Kohlmeyer authored Feb 14, 2020
  
  381ac888
- make sure coulomb tables are initialized in all coul/long GPU pair styles · 9bff4315
  Axel Kohlmeyer authored Feb 14, 2020
  
  9bff4315
- must generate coulomb tables with pair style lj/class2/coul/long/gpu · 0b57549f
  Axel Kohlmeyer authored Feb 14, 2020
  
  0b57549f
- Increase portability to more C++ compilers · c23f1646
  Axel Kohlmeyer authored Feb 14, 2020
  
  c23f1646
Feb 14, 2020
- update/correct lammps executable manpage · c47245c6
  Axel Kohlmeyer authored Feb 14, 2020
  
  c47245c6
- update fix ave/correlate/long docs to include info about limitations in output... · f70e39c3
  Axel Kohlmeyer authored Feb 14, 2020
  f70e39c3
- Merge branch 'read_dump_item_time' of https://github.com/mkanski/lammps into collected-small-fixes · 076c2853
  Axel Kohlmeyer authored Feb 13, 2020
  
  076c2853
- Merge remote-tracking branch 'github/master' into collected-small-fixes · 9e35b853
  Axel Kohlmeyer authored Feb 13, 2020
  
  9e35b853
- Enable reading dump file with ITEM:TIME · 7c62bce7
  mkanski authored Feb 13, 2020
  
  7c62bce7
Feb 13, 2020
- update plumed support to include version 2.6.0. Fix bug in API check · 4cacc470
  Axel Kohlmeyer authored Feb 13, 2020
  
  4cacc470
- Merge pull request #1876 from Vsevak/tip4p_gpu_sharedtypes · 5d467bcc
  Axel Kohlmeyer authored Feb 12, 2020
  5d467bcc
- Merge pull request #1877 from ellio167/openkim-models-docs · 10a76aff
  Axel Kohlmeyer authored Feb 12, 2020
  10a76aff
Feb 12, 2020
- Add openkim-models install instructions · cf67c16f
  Ryan S. Elliott authored Feb 10, 2020
  
  cf67c16f
- Add shared memory optimization · d024b3d3
  Vsevak authored Feb 11, 2020
  
  d024b3d3
Feb 11, 2020
- reset Modify::n_timeflag in post_run() so we won't skip computes defined between runs · ed9c8b4e
  Axel Kohlmeyer authored Feb 11, 2020
  
  ed9c8b4e
- we must defer to Modify::addstep_compute_all() if Modify::addstep_compute() if... · 23b7adc9
  Axel Kohlmeyer authored Feb 11, 2020
  23b7adc9
- fix bug in set type/ratio when operating on subsets · ec3e687b
  Axel Kohlmeyer authored Feb 10, 2020
  
  ec3e687b
Feb 04, 2020
- Merge pull request #1868 from akohlmey/next_patch_version · f0935fea
  Axel Kohlmeyer authored Feb 03, 2020
  View commits for tag patch_4Feb2020 patch_4Feb2020
  
  f0935fea
- Merge pull request #1858 from akohlmey/fft-consistency · 966bc626
  Axel Kohlmeyer authored Feb 03, 2020
  966bc626
- Merge pull request #1867 from akohlmey/doc-convert-to-mathjax · f95428ee
  Axel Kohlmeyer authored Feb 03, 2020
  f95428ee
Feb 03, 2020
- minor fixes · b71e41dc
  Axel Kohlmeyer authored Feb 03, 2020
  
  b71e41dc
- update dynamical_matrix docs · 1827ce1d
  Axel Kohlmeyer authored Feb 03, 2020
  
  1827ce1d
- Step version strings for next patch release · 73364404
  Axel Kohlmeyer authored Feb 03, 2020
  
  73364404
- Convert and revise a few more files (minimize, neb, tricilinic) · ecf30b47
  Axel Kohlmeyer authored Feb 02, 2020
  
  ecf30b47
- update documentation for contributing files and building the manual to using rst files · fde2a59b
  Axel Kohlmeyer authored Feb 02, 2020
  
  fde2a59b
- remove references to .txt files for building the documentation · 5b557ca4
  Axel Kohlmeyer authored Feb 02, 2020
  
  5b557ca4
- Convert documentation of improper styles from images to mathjax · 8ef3d777
  Axel Kohlmeyer authored Feb 02, 2020
  
  8ef3d777
- Convert documentation of dihedral styles from images to mathjax · 949f88eb
  Axel Kohlmeyer authored Feb 02, 2020
  
  949f88eb
Feb 02, 2020
- Merge pull request #1866 from YunxingZuo/master · bbf229e8
  Axel Kohlmeyer authored Feb 02, 2020
  bbf229e8
Feb 01, 2020
- correct potential file format to be compatible with latest lammps · 0a10f556
  YunxingZuo authored Jan 31, 2020
  
  0a10f556
- add SNAP and quadratic SNAP potentials for six elemental systems · 01a6608f
  YunxingZuo authored Jan 31, 2020
  
  01a6608f
- Merge branch 'master' into fft-consistency · 2b6a0223
  Axel Kohlmeyer authored Jan 31, 2020
  
  2b6a0223
- Merge pull request #1703 from jboschen/nwchem · dd91d519
  Axel Kohlmeyer authored Jan 31, 2020
  dd91d519
- Merge pull request #1864 from akohlmey/doc-remove-redundant-links · 5983c2a8
  Axel Kohlmeyer authored Jan 31, 2020
  5983c2a8

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