Commits · f36e1a2cdc6e2d297ccbfc65dc2a1c78060fe1bb · multiscale / lammps

Jun 26, 2018
- Changed default deltabin from 2 to 3 · f36e1a2c
  PabloPiaggi authored 6 years ago
  
  f36e1a2c
Jun 23, 2018
- Shorter entropy/atom example · 9108306c
  PabloPiaggi authored 6 years ago
  
  9108306c
- Rename compute to entropy/atom · 86519ce2
  PabloPiaggi authored 6 years ago
  
  86519ce2
Jun 15, 2018
- add reference log file. · b2e6863d
  Axel Kohlmeyer authored 6 years ago
  
  b2e6863d
- include compute pentropy/atom in src/USER-MISC/README · cb887d48
  Axel Kohlmeyer authored 6 years ago
  
  cb887d48
- whitespace cleanup · 9ef1bfe8
  Axel Kohlmeyer authored 6 years ago
  
  9ef1bfe8
- rename source files for compute pentropy/atom to match the command name · 76b85e4d
  Axel Kohlmeyer authored 6 years ago
  
  76b85e4d
- integrate compute pentropy/atom into the documentation tree · 8a2faff5
  Axel Kohlmeyer authored 6 years ago
  
  8a2faff5
May 22, 2018
- Removed unused variables - corrected documentation · 6de45694
  PabloPiaggi authored 6 years ago
  
  6de45694
- Formatted according to Lammps guidelines · fbc435a0
  PabloPiaggi authored 6 years ago
  
  fbc435a0
- Moved to USER-MISC · 108c31e2
  PabloPiaggi authored 6 years ago
  
  108c31e2
- Updated docs · e550f512
  PabloPiaggi authored 6 years ago
  
  e550f512
May 18, 2018
- Examples - new local option · 124641dc
  PabloPiaggi authored 6 years ago
  
  124641dc
May 02, 2018
- Added documentation for compute_pair_entropy_atom · 59b59573
  PabloPiaggi authored 6 years ago
  
  59b59573
Apr 30, 2018
- First fully working version of compute_pair_entropy_atom · 51d2625d
  PabloPiaggi authored 6 years ago
  
  51d2625d
Apr 28, 2018
- pair_entropy_atom workin - avg missing · 4e6188cf
  PabloPiaggi authored 6 years ago
  
  4e6188cf
Apr 27, 2018
- Some changes to compute_pair_entropy_atom · d504dcc4
  PabloPiaggi authored 6 years ago
  
  d504dcc4
Apr 04, 2018
- Merge pull request #866 from lammps/header-error-messages · 8e3ba36a
  Steve Plimpton authored 6 years ago
  
  add placeholders to include files for error messges
  8e3ba36a
- remove or reformulate references to USER-CUDA package, which no longer exists · 12bc8416
  Axel Kohlmeyer authored 6 years ago
  
  12bc8416
- add placeholders to include files for error messges · 5221ac2d
  Steven J. Plimpton authored 6 years ago
  
  5221ac2d
Mar 30, 2018
- Merge branch 'master' of github.com:lammps/lammps · 0bfb6f0c
  Steven J. Plimpton authored 6 years ago
  
  0bfb6f0c
- patch 30Mar18 · 7786cb5a
  Steven J. Plimpton authored 6 years ago
  
  7786cb5a
- Merge pull request #860 from lammps/doctweak · e476f89b
  Steve Plimpton authored 6 years ago
  
  alphabetize correction in docs
  e476f89b
- alphabetize correction in docs · bfc07712
  Steven J. Plimpton authored 6 years ago
  
  bfc07712
- Merge pull request #857 from lammps/resetids · ee5ad9cb
  Steve Plimpton authored 6 years ago
  
  new reset_ids command and dump_modify delay option
  ee5ad9cb
- Merge branch 'master' into resetids · a19e8fb2
  Steve Plimpton authored 6 years ago
  
  a19e8fb2
- Merge pull request #855 from lammps/dumpinc · 81caeffb
  Steve Plimpton authored 6 years ago
  
  new dump_modify refresh and compute displace/atom refresh commands fo…
  81caeffb
- complete integration of reset_ids into the documentation build system · a4795df5
  Axel Kohlmeyer authored 6 years ago
  
  a4795df5
Mar 29, 2018
- fix typo · ef842391
  Axel Kohlmeyer authored 6 years ago
  
  ef842391
- Merge pull request #858 from junghans/fix_return · 0984e94c
  Steve Plimpton authored 6 years ago
  
  MathSpecial::fm_exp: fix return value on ppc64
  0984e94c
- Merge pull request #856 from akohlmey/fix_srp_bugfix · 2a930dac
  Steve Plimpton authored 6 years ago
  
  Bugfix for SRP with triclinic cells
  2a930dac
Mar 28, 2018
- shift files into doc/src · 09313cf3
  Steven J. Plimpton authored 6 years ago
  
  09313cf3
- remove files that were added in error last summer by a pull request · 6dff29bb
  Axel Kohlmeyer authored 6 years ago
  
  6dff29bb
- MathSpecial::fm_exp: fix return value on ppc64 · c664f46b
  Christoph Junghans authored 6 years ago
  
  c664f46b
- new reset_ids command and dump_modify delay option · 5fd17670
  Steven J. Plimpton authored 6 years ago
  
  5fd17670
- squash bug in fix srp that was incorrectly comparing cutoffs for triclinic cells · b37664b4
  Axel Kohlmeyer authored 6 years ago
  
  b37664b4
Mar 27, 2018
- Merge pull request #852 from akohlmey/collected-small-bugfixes-and-updates · b5b0f67b
  Steve Plimpton authored 6 years ago
  
  Collected small bugfixes and cleanups
  b5b0f67b
- Merge pull request #854 from lammps/readdump · a524d8c1
  Steve Plimpton authored 6 years ago
  
  new option *add keep* added to read_dump
  a524d8c1
- Merge pull request #850 from lammps/addlib · b571f542
  Steve Plimpton authored 6 years ago
  
  a few new lib interface methods
  b571f542
- new dump_modify refresh and compute displace/atom refresh commands for incremental dump files · 2aef3a0e
  Steven J. Plimpton authored 6 years ago
  
  2aef3a0e