Commits · v0.1.4 · computationalmaterials / CLEASE GUI · GitLab

Mar 08, 2022
- BUG: NGLviewer showed bond cylinders between atoms · f624a49f
  Alexander Tygesen authored Mar 08, 2022
  View commits for tag v0.1.4 v0.1.4
  
  f624a49f
- BUG: NGLviewer showed bond cylinders between atoms · bde8cadd
  Alexander Tygesen authored Mar 08, 2022
  bde8cadd
Mar 07, 2022
- MCStep is moved to a different location · 43b6dc52
  Alexander Tygesen authored Mar 07, 2022
  
  43b6dc52
Mar 05, 2022
- MAINT: Background ignore in swap move generator is now in CLEASE · 2a0c2470
  Alexander Tygesen authored Mar 05, 2022
  
  View commits for tag v0.1.3 v0.1.3
  2a0c2470
- ENH: Efforts towards a MC video · e2b02317
  Alexander Tygesen authored Mar 04, 2022
  e2b02317
Mar 03, 2022
- BUG: Threading is no good wiht CPU-bound process. just use main thread · 565fdc80
  Alexander Tygesen authored Mar 03, 2022
  
  565fdc80
Mar 01, 2022
- ENH: Manually constrain MC to only allow background indices · 14c2787e
  Alexander Tygesen authored Mar 01, 2022
  
  14c2787e
Feb 07, 2022
- Add bigmap support in acknowledgements · cac26f0b
  Alexander Tygesen authored Feb 07, 2022
  
  cac26f0b
- Add a rendered version of the logo · a1b51d00
  Alexander Tygesen authored Feb 07, 2022
  
  a1b51d00
Jan 26, 2022
- Revert "adjust MCD to default 3" · cbbcf752
  Alexander Tygesen authored Jan 26, 2022
  cbbcf752
Jan 22, 2022
- adjust MCD to default 3 · bdc46905
  Alexander Tygesen authored Jan 22, 2022
  bdc46905
Jan 20, 2022
- ENH: New CLEASEGui class, main user class · 0d24691d
  Alexander Tygesen authored Jan 20, 2022
  
  0d24691d
Jan 17, 2022
- Bump version · 147c81b2
  Alexander Tygesen authored Jan 17, 2022
  
  147c81b2
- Bump version number · 90c547a1
  Alexander Tygesen authored Jan 17, 2022
  
  View commits for tag v0.1.2 v0.1.2
  90c547a1
- use appdata is_key_private in save_app_data · 3979480a
  Alexander Tygesen authored Jan 17, 2022
  
  3979480a
- Bump clease version to 0.10.7 · ba480328
  Alexander Tygesen authored Jan 17, 2022
  
  ba480328
- make AppDataKeys a str and enum class · daebf323
  Alexander Tygesen authored Jan 17, 2022
  
  daebf323
- Count number of ECI · d0cee081
  Alexander Tygesen authored Jan 17, 2022
  
  d0cee081
Dec 13, 2021
- Upgrade warning to error log · 68c49ca1
  Alexander Tygesen authored Dec 13, 2021
  
  68c49ca1
Dec 09, 2021
- Add filename text widget in ECI plots · c6b091cc
  Alexander Tygesen authored Dec 08, 2021
  
  c6b091cc
Dec 08, 2021
- Update README.md · 6c69cbcd
  Alexander Tygesen authored Dec 08, 2021
  
  6c69cbcd
- Test set_widgets_on_load with MCD · 1b9e6948
  Alexander Tygesen authored Dec 08, 2021
  
  View commits for tag v0.1.1 v0.1.1
  1b9e6948
- Remove unused variables · 6ea3d698
  Alexander Tygesen authored Dec 08, 2021
  
  6ea3d698
- Bump to version 0.1.1 · 07df62b5
  Alexander Tygesen authored Dec 08, 2021
  
  07df62b5
- Separate common settings buttons from crystal stuff · 17d4408d
  Alexander Tygesen authored Dec 07, 2021
  17d4408d
Nov 19, 2021
- STYLE: Move to Black formatter · 31be3f47
  Alexander Tygesen authored Nov 19, 2021
  31be3f47
Nov 09, 2021
- add framework classifier · 49f3c03c
  Alexander Tygesen authored Nov 09, 2021
  
  View commits for tag v0.1.0 v0.1.0
  49f3c03c
- bump_version · 2292bf0c
  Alexander Tygesen authored Nov 09, 2021
  
  2292bf0c
Nov 08, 2021
- add option 'return_dashboard' in display_ui · 6aea49dc
  Alexander Tygesen authored Nov 08, 2021
  
  6aea49dc
- Clean up imports a bit. · eaedbec9
  Alexander Tygesen authored Nov 08, 2021
  eaedbec9
Nov 05, 2021
- add a few more tests to event context manager · 3615b536
  Alexander Tygesen authored Nov 05, 2021
  
  3615b536
- remove unused resources/ and scripts/ folder in root · 64797bd4
  Alexander Tygesen authored Nov 05, 2021
  
  64797bd4
- no transparent background in savefig · 955b1ea8
  Alexander Tygesen authored Nov 05, 2021
  
  955b1ea8
- ENH: new event_context, rather than going try:... except Exception:, now use with event_context() · c1a2d602
  Alexander Tygesen authored Nov 04, 2021
  c1a2d602
Nov 04, 2021
- bump version · bf36f681
  Alexander Tygesen authored Nov 04, 2021
  
  bf36f681
- Move most requirements into files so you can do pip install -r <requirements_file> · 6b16c0d1
  Alexander Tygesen authored Nov 04, 2021
  
  View commits for tag v0.0.5 v0.0.5
  6b16c0d1
Nov 03, 2021
- ENH: simplify code for drawing supercell sublattice boxes, and add indicator... · 80b77197
  Alexander Tygesen authored Nov 03, 2021
  80b77197
- ENH: New utils.make_clickable_button · 94e54586
  Alexander Tygesen authored Nov 03, 2021
  94e54586
Nov 02, 2021
- missing ipywidgets dependency (implicit through jupyter) · 0fdd5c4e
  Alexander Tygesen authored Nov 02, 2021
  
  0fdd5c4e
- TST: Use click.testing.CliRunner for testing CLI · 61633424
  Alexander Tygesen authored Nov 02, 2021
  
  61633424