Commits · v0.1.9 · computationalmaterials / CLEASE GUI · GitLab

May 09, 2022
- BUG: Reset the averager energies after changing the temp · a38c92de
  Alexander Tygesen authored May 09, 2022
  
  View commits for tag v0.1.9 v0.1.9
  
  a38c92de
- Bump version to 0.1.9 · d51ea433
  Alexander Tygesen authored May 09, 2022
  
  d51ea433
- MAINT: Use packaging parse() instead of custom Version class · 24346e96
  Alexander Tygesen authored May 09, 2022
  
  View commits for tag v0.1.8 v0.1.8
  24346e96
- ENH: Add timing to logging · e735443b
  Alexander Tygesen authored May 09, 2022
  
  e735443b
May 07, 2022
- ENH: Use subscribers in status bar · b482c646
  Alexander Tygesen authored May 07, 2022
  
  b482c646
- ENH: Make AppData be able to have subscribers. · a424acf0
  Alexander Tygesen authored May 06, 2022
  a424acf0
May 05, 2022
- ENH: Default to logscales · 6f6f786d
  Alexander Tygesen authored May 05, 2022
  
  6f6f786d
May 02, 2022
- MAINT: Adjust MC update · 71f20b46
  Alexander Tygesen authored May 02, 2022
  
  71f20b46
- DOC: Update doc config and copyright · 1c6ad286
  Alexander Tygesen authored May 02, 2022
  
  1c6ad286
Apr 28, 2022
- Adjust CI slightly · 45b9babb
  Alexander Tygesen authored Apr 28, 2022
  
  45b9babb
- Bump version to 0.1.8 · 426a62ab
  Alexander Tygesen authored Apr 28, 2022
  
  426a62ab
- MAINT: Move requirements into separate folder · cc2e08f4
  Alexander Tygesen authored Apr 28, 2022
  View commits for tag v0.1.7 v0.1.7
  cc2e08f4
- MAINT: Update the pre-commit hooks · 4f57c8b7
  Alexander Tygesen authored Apr 28, 2022
  
  4f57c8b7
- Clease no longer allows updating include_background_atoms · 20632773
  Alexander Tygesen authored Apr 28, 2022
  
  20632773
Mar 21, 2022
- Check validity of new supercell template · 30f0053b
  Alexander Tygesen authored Mar 21, 2022
  
  30f0053b
- Bump version to 0.1.7 · dd773a81
  Alexander Tygesen authored Mar 21, 2022
  
  dd773a81
Mar 16, 2022
- BUG: Delay import og gui, since it triggers tkinter import · 09476ac7
  Alexander Tygesen authored Mar 16, 2022
  
  View commits for tag v0.1.6 v0.1.6
  09476ac7
Mar 15, 2022
- bump version · 904cf14e
  Alexander Tygesen authored Mar 15, 2022
  
  904cf14e
Mar 14, 2022
- ENH: ASE GUI constructor utils, avoid using ase.visualize.view · f88edab7
  Alexander Tygesen authored Mar 14, 2022
  
  View commits for tag v0.1.5 v0.1.5
  f88edab7
- MAINT: Move to jupyter lab as main recommendation · 86865863
  Alexander Tygesen authored Mar 09, 2022
  86865863
Mar 08, 2022
- bump version · fc60f5b6
  Alexander Tygesen authored Mar 08, 2022
  
  fc60f5b6
- 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