Commits · a37d718ed108d4f89afdee63340ec07ff3e52559 · multiscale / lammps

Nov 03, 2018
- update bond/react examples · a37d718e
  jrgissing authored 6 years ago
  
  a37d718e
Sep 07, 2018
- update reference examples with versions that do not vary by MPI rank count · 44fcdc40
  Axel Kohlmeyer authored 6 years ago
  
  44fcdc40
Sep 05, 2018
- moved contents of USER-MOP package to USER-MISC as suggested by @sjplimp · 0c92c227
  Axel Kohlmeyer authored 6 years ago
  
  0c92c227
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
May 22, 2018
- Updated docs · e550f512
  PabloPiaggi authored 6 years ago
  
  e550f512
May 18, 2018
- Examples - new local option · 124641dc
  PabloPiaggi authored 6 years ago
  
  124641dc
May 06, 2018
- update example log files · 9d9d7cb9
  Axel Kohlmeyer authored 6 years ago
  
  9d9d7cb9
- fix bond/react final touches · 916ed717
  jrgissing authored 6 years ago
  
  916ed717
May 03, 2018
- make filenames comply with LAMMPS conventions and add reference log files · 53cc609c
  Axel Kohlmeyer authored 6 years ago
  
  53cc609c
Mar 23, 2018
- minor cleanup in docs and updated log files for kolmogorov/crespi/full · 5a341bee
  Axel Kohlmeyer authored 7 years ago
  
  5a341bee
Mar 22, 2018
- update kolmogorov-crespi examples · c398eb6b
  Axel Kohlmeyer authored 7 years ago
  
  c398eb6b
- refactor code and examples to match LAMMPS conventions. whitespace cleanup. shorten examples. · 8de7c449
  Axel Kohlmeyer authored 7 years ago
  
  8de7c449
Mar 14, 2018
- Add more examples · 6415befb
  oywg11 authored 7 years ago
  
  6415befb
Mar 13, 2018
- Finally updated the github tutorial · bbb2a6d6
  oywg11 authored 7 years ago
  
  bbb2a6d6
Mar 04, 2018
- make fix bond/react example inputs more similar to other input examples in LAMMPS · 52446eed
  Axel Kohlmeyer authored 7 years ago
  
  52446eed
Feb 25, 2018
- gatherv fix, doc updates · 7d1de345
  jrgissing authored 7 years ago
  
  7d1de345
Feb 22, 2018
- re-add compressed data file (was hidden by .gitignore) · 3787b894
  Axel Kohlmeyer authored 7 years ago
  
  3787b894
Feb 21, 2018
- move fix bond/react examples and compress large data file · daae9061
  Axel Kohlmeyer authored 7 years ago
  
  daae9061
Nov 28, 2017
- various small cosmetic adjustments to increase conformance with LAMMPS programming conventions · 56475229
  Axel Kohlmeyer authored 7 years ago
  
  56475229
Nov 27, 2017
- added ExTeP to USER-MISC · 5770a20e
  Jaap Kroes authored 7 years ago
  
  5770a20e
Oct 26, 2017
- Moved some stuff around. · e79cd6c6
  Stefan Paquay authored 7 years ago
  
  e79cd6c6
Oct 18, 2017
- small updates to recently added docs and rename of an example dir · 281b1dc3
  Steve Plimpton authored 7 years ago
  
  281b1dc3
Oct 04, 2017
- Ensure consistency with documentation · 95726343
  Ulf R. Pedersen authored 7 years ago
  
  95726343
Oct 03, 2017

make fix rhok examples more consistent with LAMMPS conventions: · f07719e9

Axel Kohlmeyer authored 7 years ago

- move example folder to examples/USER/misc/
- comment out writing of trajectory files
- reduce run length (for easier testing for regressions)
- record example outputs for 1 and 4 MPI processes
- rename readme.md to README.md for visibility

f07719e9

Aug 31, 2017
- add reference outputs to temper/npt example · 4d2ed30b
  Axel Kohlmeyer authored 7 years ago
  
  4d2ed30b
- fully integrate temper/npt command into manual · f3dda30f
  Axel Kohlmeyer authored 7 years ago
  
  f3dda30f
Jul 14, 2017
- move updated gauss_flow example to the correct folder · 1c92eece
  Axel Kohlmeyer authored 7 years ago
  
  1c92eece
Jul 06, 2017
- make example input / output conform with LAMMPS conventions (no dump files, no... · 7193fffe
  Axel Kohlmeyer authored 7 years ago
  
  make example input / output conform with LAMMPS conventions (no dump files, no log command) and update reference outputs
  7193fffe
- some edits to make examples more illustrative. · 47649ff5
  Abdo authored 7 years ago
  
  47649ff5
Jul 05, 2017
- adjust EES wall input example to print out some thermodynamic info that can be used for testing · d451dbb1
  Axel Kohlmeyer authored 7 years ago
  
  d451dbb1
- Examples moved · 8e279d4e
  Abdo authored 7 years ago
  
  8e279d4e
Jun 22, 2017
- update examples for fix filter/corotate to comply with new CHARMM restrictions · b0ddabbc
  Axel Kohlmeyer authored 7 years ago
  
  b0ddabbc
Jun 14, 2017
- updated thermo_modify in example · e7634a44
  dstelter92 authored 7 years ago
  
  e7634a44
- removed unneeded .gitignore · 3214d639
  dstelter92 authored 7 years ago
  
  3214d639
- Added compute_scalar to fix_grem for easier output managment, updated example to show use · 0ad66ecb
  dstelter92 authored 7 years ago
  
  0ad66ecb
May 31, 2017
- add example input for compute cnp/atom · 2b3c124e
  Axel Kohlmeyer authored 7 years ago
  
  2b3c124e
May 16, 2017
- import multi-element compatible pair style edip as edip/multi · 35e92733
  Axel Kohlmeyer authored 7 years ago
  
  35e92733