Commits · ac85071bc4bd96ec50f014768f8c449e2a5d6462 · 郑智淋 / lammps · GitLab

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Jun 09, 2020
- need one more step with ubuntu to allow enabling PPA repos · ac85071b
  Axel Kohlmeyer authored Jun 08, 2020
  
  ac85071b
- add manual installation of plumed library · 2668e3de
  Axel Kohlmeyer authored Jun 08, 2020
  
  2668e3de
Jun 08, 2020
- must not set *any* communicators in plumed lib when using MPI_STUBS · 8b154cfb
  Axel Kohlmeyer authored Jun 08, 2020
  
  8b154cfb
- Merge branch 'master' of github.com:ThFriedrich/lammps into collected-bugfixes-and-updates · 7512cd35
  Axel Kohlmeyer authored Jun 08, 2020
  
  7512cd35
- add missing pair_style command to commands overview · d106ed89
  Axel Kohlmeyer authored Jun 08, 2020
  
  d106ed89
- Fix "Example" Tag formatting · 99fcf21a
  thfriedrich authored Jun 08, 2020
  
  99fcf21a
- tweak test epsilons so they pass with -DLAMMPS_BIGBIG · 448bccd1
  Axel Kohlmeyer authored Jun 07, 2020
  
  448bccd1
- fix bugs with reading restart files when using -DLAMMPS_BIGBIG · e5f93738
  Axel Kohlmeyer authored Jun 07, 2020
  
  e5f93738
- fix cut-n-paste bug that crashed LAMMPS on reading molecular data files with -DLAMMPS_BIGBIG · 864103f9
  Axel Kohlmeyer authored Jun 07, 2020
  
  864103f9
- Fix Formatting of "Examples" Label · f9cdf091
  thfriedrich authored Jun 07, 2020
  
  f9cdf091
- Added missing "Syntax" label · def387c2
  thfriedrich authored Jun 07, 2020
  
  def387c2
- update singularity definition files to include kim-api packages · a9d19320
  Axel Kohlmeyer authored Jun 07, 2020
  
  a9d19320
- whitespace · dd746f76
  Axel Kohlmeyer authored Jun 07, 2020
  
  dd746f76
- fix syntax issue · bbb6f408
  Axel Kohlmeyer authored Jun 07, 2020
  
  bbb6f408
- avoid division by zero · 4da8ff3d
  Axel Kohlmeyer authored Jun 07, 2020
  
  4da8ff3d
- port bugfix from fix qtb to fix qbmsst and some output simplification · fc1be785
  Axel Kohlmeyer authored Jun 07, 2020
  
  fc1be785
- correctly compute the size of the maxexchange buffer. we put all fixes into one buffer. · 5c123608
  Axel Kohlmeyer authored Jun 07, 2020
  
  5c123608
- use more common coding patterns, set maxexchange, use correct argument conversion functions · db9543ed
  Axel Kohlmeyer authored Jun 07, 2020
  
  db9543ed
Jun 07, 2020
- consolidate enumerator for per-atom array data types · cee7cd5f
  Axel Kohlmeyer authored Jun 07, 2020
  
  cee7cd5f
- more thorough checking if the reaxff force field is consistent. · edc7237f
  Axel Kohlmeyer authored Jun 07, 2020
  
  edc7237f
- add missing linefeed character · 586f2c00
  Axel Kohlmeyer authored Jun 07, 2020
  
  586f2c00
- recover compilation of the KIM package · 09a00541
  Axel Kohlmeyer authored Jun 06, 2020
  
  09a00541
- Merge pull request #2122 from rbberger/refactor-table-reading · 64664d0b
  Axel Kohlmeyer authored Jun 06, 2020
  64664d0b
Jun 06, 2020
- Fix whitespace · 2ed86525
  Richard Berger authored Jun 05, 2020
  
  2ed86525
- Merge remote-tracking branch 'origin/master' into refactor-table-reading · 52f59686
  Richard Berger authored Jun 05, 2020
  
  52f59686
- Merge pull request #2129 from akohlmey/collected-small-changes · a57a8a87
  Axel Kohlmeyer authored Jun 05, 2020
  a57a8a87
- Merge remote-tracking branch 'origin/master' into refactor-table-reading · 4f804f58
  Richard Berger authored Jun 05, 2020
  
  4f804f58
- remove .c_str() in several places because it is no longer neede · 04d7eacc
  Axel Kohlmeyer authored Jun 05, 2020
  
  04d7eacc
- Merge branch 'master' into collected-small-changes · c7ef89dc
  Axel Kohlmeyer authored Jun 05, 2020
  
  c7ef89dc
- Change next_dvector(n, buf) to next_dvector(buf, n) · 2203e1e9
  Richard Berger authored Jun 05, 2020
  
  2203e1e9
- Merge pull request #2128 from akohlmey/more-fmtlib-and-string · 12386945
  Axel Kohlmeyer authored Jun 05, 2020
  12386945
- make KOKKOS library compilation compatible with mode=shared · 9bf47cd9
  Axel Kohlmeyer authored Jun 05, 2020
  
  9bf47cd9
- Fix error message in pair_airebo.cpp · 8b546959
  Richard Berger authored Jun 05, 2020
  
  8b546959
- Fix error message in bond_table.cpp · 4d99092e
  Richard Berger authored Jun 05, 2020
  
  4d99092e
- Remove more c_str() · a42a86c0
  Richard Berger authored Jun 05, 2020
  
  a42a86c0
- Merge remote-tracking branch 'origin/master' into refactor-table-reading · 7df387f7
  Richard Berger authored Jun 05, 2020
  
  7df387f7
Jun 05, 2020
- Simplify by using next_values() helper · cd08dc84
  Richard Berger authored Jun 05, 2020
  
  cd08dc84
- make definition consistent and silence a whole bunch of warnings from recent clang versions · 78468f41
  Axel Kohlmeyer authored Jun 05, 2020
  
  78468f41
- Merge branch 'master' into more-fmtlib-and-string · f547d661
  Axel Kohlmeyer authored Jun 05, 2020
  f547d661
- Merge pull request #2127 from akohlmey/error-using-string-class · 86382854
  Axel Kohlmeyer authored Jun 05, 2020
  86382854

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