Commits · fd63b08f99e05d8c6b8816eef2e266aba4fbfd0a · 郑智淋 / lammps · GitLab

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Sep 18, 2019
- Merge branch 'reorder_remd_traj' of github.com:tanmoy7989/lammps into reorder_remd_traj · fd63b08f
  Axel Kohlmeyer authored Sep 17, 2019
  fd63b08f
- whitespace cleanup, mention pip install --user · 636a8aae
  Axel Kohlmeyer authored Sep 17, 2019
  
  636a8aae
Sep 10, 2019
- fixed alphabetical ordering in Tools.txt and added a line highlighting the tool in temper.txt · cde16580
  tanmoy.7989 authored Sep 09, 2019
  
  cde16580
Sep 09, 2019
- added a line to tools/README and fixed the alphabetical ordering in docs · 91a19719
  tanmoy.7989 authored Sep 09, 2019
  
  91a19719
- vectorized in parts and made changes as suggested by evoyiatzis · f41a1f83
  tanmoy.7989 authored Sep 08, 2019
  
  f41a1f83
Sep 07, 2019
- link to data.peptide was deleted by me by mistake. Now that it's re-added, I... · bbb0f574
  tanmoy.7989 authored Sep 06, 2019
  bbb0f574
- re-add link to data.peptide file, which got deleted somehow · 82423ff4
  Axel Kohlmeyer authored Sep 06, 2019
  
  82423ff4
Sep 06, 2019
- merging after deleting data.peptide per PR 1660 · 718567f0
  tanmoy.7989 authored Sep 05, 2019
  
  718567f0
- (a)fixed bz2 import, (b)linked to data.peptide in examples/peptide, (c)added a runlog · 4fdece59
  tanmoy.7989 authored Sep 05, 2019
  
  4fdece59
- use link instead of copy of data file for replica tool example · 24f1981e
  Axel Kohlmeyer authored Sep 05, 2019
  
  24f1981e
Sep 05, 2019
- added new valid words to doc/utils/sphinx-config/false_positives.txt · 96c21bec
  tanmoy.7989 authored Sep 04, 2019
  
  96c21bec
- python tool to reorder replica traj · 21699b89
  tanmoy.7989 authored Sep 04, 2019
  
  21699b89
Aug 26, 2019
- Merge pull request #1642 from lammps/chunk-doc · 0b34db78
  Axel Kohlmeyer authored Aug 25, 2019
  0b34db78
- Merge pull request #1644 from rbberger/kokkos_cmake_fix · 438400e5
  Axel Kohlmeyer authored Aug 25, 2019
  438400e5
Aug 23, 2019
- Add missing npair style for KOKKOS when using CMake · 09937c99
  Richard Berger authored Aug 22, 2019
  
  09937c99
- fix typo · cb999ad6
  Axel Kohlmeyer authored Aug 22, 2019
  
  cb999ad6
- add another example to Howto chunk doc page · c74f5ae4
  Steve Plimpton authored Aug 22, 2019
  
  c74f5ae4
Aug 22, 2019
- Merge pull request #1640 from akohlmey/fix-wall-morse · 1599fcef
  Axel Kohlmeyer authored Aug 21, 2019
  1599fcef
- update docs to add morse in a similar style to fix wall/region · ad83f0e2
  Axel Kohlmeyer authored Aug 21, 2019
  
  ad83f0e2
- integrate fix wall/morse docs properly into manual · aac557a9
  Axel Kohlmeyer authored Aug 20, 2019
  
  aac557a9
- implement fix wall/morse based on fix wall/region and fix wall/harmonic · 6a584672
  Axel Kohlmeyer authored Aug 20, 2019
  
  6a584672
Aug 21, 2019
- Merge pull request #1628 from erozic/feature-wall-region-morse · 82b3fad1
  Axel Kohlmeyer authored Aug 21, 2019
  82b3fad1
- Merge pull request #1641 from rbberger/fix_external_via_python · bf85bff7
  Axel Kohlmeyer authored Aug 21, 2019
  bf85bff7
- Merge pull request #1503 from etomica/master · cfa9179b
  Axel Kohlmeyer authored Aug 21, 2019
  cfa9179b
- Merge pull request #1637 from dsbolin/granular_bug_fixes · 42b282fe
  Axel Kohlmeyer authored Aug 21, 2019
  42b282fe
- Merge pull request #1621 from akohlmey/collected-small-fixes · c686df1a
  Axel Kohlmeyer authored Aug 20, 2019
  c686df1a
- Merge pull request #1626 from erozic/feature-pair-cossq · ffc023ad
  Axel Kohlmeyer authored Aug 20, 2019
  ffc023ad
- Merge pull request #1638 from ellio167/kim-api-2.1.3 · 9fc021d8
  Axel Kohlmeyer authored Aug 20, 2019
  9fc021d8
- Silence another compiler warning · 91a80c3c
  Axel Kohlmeyer authored Aug 20, 2019
  
  91a80c3c
- Silence compiler warning · fffe2eb9
  Axel Kohlmeyer authored Aug 20, 2019
  
  fffe2eb9
- Compute HMA style name should be lowercase (and match the docs) · 14b93f91
  Axel Kohlmeyer authored Aug 20, 2019
  
  14b93f91
- compute HMA style name should be lowercase · 6b1df072
  Axel Kohlmeyer authored Aug 20, 2019
  
  6b1df072
- Increase string buffer size to 128 · b79e5401
  Richard Berger authored Aug 20, 2019
  
  b79e5401
- Fix file name · 9b703c66
  Richard Berger authored Aug 20, 2019
  
  9b703c66
- Use snprintf instead of sprintf · f4254cba
  Richard Berger authored Aug 20, 2019
  
  f4254cba
- update fix wall/region docs as requested by @sjplimp (i hope) · b5a79f96
  Axel Kohlmeyer authored Aug 20, 2019
  
  b5a79f96
- Add missing comment · 7beb2a53
  Richard Berger authored Aug 20, 2019
  
  7beb2a53
- Extend lib interface to set fix external callback · 2b42428d
  Richard Berger authored Aug 20, 2019
  2b42428d
- fix spelling issues in docs · 88ff8ce2
  Axel Kohlmeyer authored Aug 20, 2019
  
  88ff8ce2
- Merge branch 'master' into collected-small-fixes · 6d5089e0
  Axel Kohlmeyer authored Aug 20, 2019
  
  6d5089e0

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