Commits · bc35f1ef9f5fccec08b60c1da3d147ff1302bd13 · Tadah / MLIP

Nov 26, 2024
- replaced std::tmpnam · 9c11cfee
  mkirsz authored 3 months ago
  
  9c11cfee
Nov 22, 2024
- Bombproofing readers plus some fixes · d6b96d7d
  mkirsz authored 4 months ago
  
  d6b96d7d
Nov 20, 2024
- Changed how stress is defined in Tadah, from PV -> P · 2bf07441
  mkirsz authored 4 months ago
  
  2bf07441
- correct extraction from plain scf if not GO or MD · 6f250c0b
  mkirsz authored 4 months ago
  
  6f250c0b
Nov 19, 2024
- CASTEP .castep reader with tests · a1bc6b38
  mkirsz authored 4 months ago
  
  a1bc6b38
Nov 18, 2024
- Consistent class names and tests for .geom reader · d6582a4c
  mkirsz authored 4 months ago
  
  d6582a4c
Nov 15, 2024
- Working CASTEP .md reader · 495106bb
  mkirsz authored 4 months ago
  
  495106bb
Nov 14, 2024
- Working vasprun.xml reader with tests · 789d4d36
  mkirsz authored 4 months ago
  
  789d4d36
- Implementation of the VASP OUTCAR reader with tests · 50d66967
  mkirsz authored 4 months ago
  
  50d66967
Oct 31, 2024
- find_unique... to accomodate for additional line of structure weights · 05ea8020
  Marcin Kirsz authored 4 months ago
  
  05ea8020
Oct 21, 2024
- Missing test, all ok · bd453998
  mkirsz authored 5 months ago
  
  bd453998
- Fix · 15833ce5
  mkirsz authored 5 months ago
  
  15833ce5
- Major reorganisation · 9d55b145
  mkirsz authored 5 months ago
  
  9d55b145
Mar 08, 2024
- Update · 8445a53c
  mkirsz authored 1 year ago
  
  8445a53c
- Embedding config.toml · 3f8d73d1
  mkirsz authored 1 year ago
  
  3f8d73d1
- Changed element symbol array size from 3 to 2 · 242eb4d2
  mkirsz authored 1 year ago
  
  242eb4d2
Mar 06, 2024
- Fix fetch · 93bda4b8
  mkirsz authored 1 year ago
  
  93bda4b8
- Fixing pipelines · eb12ba72
  mkirsz authored 1 year ago
  
  eb12ba72
- Fixing pipeline · cead7322
  mkirsz authored 1 year ago
  
  cead7322
Mar 05, 2024
- Fixing pipelines · a49e927d
  mkirsz authored 1 year ago
  
  a49e927d
Mar 04, 2024
- tests and new cmake config · 383b9801
  mkirsz authored 1 year ago
  
  383b9801