Commits · 21c59d4cf0762bceefaab1e96284ce8a244a6ec6 · multiscale / lammps

Aug 24, 2018
- Fix unused params in packages (#1076) · 92a4dc25
  Daniel Schwen authored 6 years ago
  
  92a4dc25
Jun 29, 2018
- multiple small tweaks to compute entropy/atom · 75a39680
  Axel Kohlmeyer authored 6 years ago
  
  - improve error detection and messages - avoid sigma/cutoff to be zero (and thus division by zero) - move new/delete of temporary storage outside of loop
  75a39680
- eliminate variable length arrays from compute entropy/atom · 4f9c0456
  Axel Kohlmeyer authored 6 years ago
  
  4f9c0456
Jun 26, 2018
- Changed default deltabin from 2 to 3 · f36e1a2c
  PabloPiaggi authored 6 years ago
  
  f36e1a2c
Jun 23, 2018
- Rename compute to entropy/atom · 86519ce2
  PabloPiaggi authored 6 years ago
  
  86519ce2
Jun 15, 2018
- 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
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
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