Commits · v0.2.1 · computationalmaterials / CLEASE GUI · GitLab

Jun 23, 2022
- BUG: Clease evaluate now requires .fit() calls · 7f5382a1
  Alexander Tygesen authored Jun 23, 2022
  
  View commits for tag v0.2.1 v0.2.1
  
  7f5382a1
Jun 21, 2022
- Bump to beta · 7aa30c8a
  Alexander Tygesen authored Jun 21, 2022
  
  View commits for tag v0.2.0 v0.2.0
  7aa30c8a
Jun 19, 2022
- bump version · 42543e67
  Alexander Tygesen authored Jun 19, 2022
  
  42543e67
- Refactor: Dashboards can now make 'event' buttons · a904d015
  Alexander Tygesen authored Jun 19, 2022
  
  View commits for tag v0.1.12 v0.1.12
  a904d015
- Some minor refactoring · 0dcbcb36
  Alexander Tygesen authored Jun 19, 2022
  
  0dcbcb36
- ENH: Add a Get Current Energy button in the supercell tab. · 64e998b9
  Alexander Tygesen authored Jun 19, 2022
  
  64e998b9
- Have more dashboards use the subscriber mechanism · 91fb6c4b
  Alexander Tygesen authored Jun 19, 2022
  
  91fb6c4b
- DOC: A bit of docstring · 0c6d98ce
  Alexander Tygesen authored Jun 19, 2022
  
  0c6d98ce
- MAINT: Method is static · 174212cd
  Alexander Tygesen authored Jun 19, 2022
  
  174212cd
Jun 16, 2022
- Add parallel option in MC · 798fbc75
  Alexander Tygesen authored Jun 14, 2022
  
  798fbc75
Jun 15, 2022
- Optionally disable plotting convex hull · 1ff39c3d
  Alexander Tygesen authored Jun 15, 2022
  
  1ff39c3d
Jun 14, 2022
- Add parallel option in MC · dd38570b
  Alexander Tygesen authored Jun 14, 2022
  
  dd38570b
Jun 13, 2022
- Adjust to new setuptools version · 0ad05f70
  Alexander Tygesen authored Jun 13, 2022
  
  0ad05f70
- Bump version · c212ff8d
  Alexander Tygesen authored Jun 13, 2022
  
  c212ff8d
- MAINT: Add explicit attrs dependency · 6eddb1cb
  Alexander Tygesen authored Jun 13, 2022
  
  View commits for tag v0.1.11 v0.1.11
  6eddb1cb
- Plot heat capacity · f2502c6e
  Alexander Tygesen authored Jun 13, 2022
  
  f2502c6e
Jun 10, 2022
- Update notebook line recommendations · 2fbfd884
  Alexander Tygesen authored Jun 10, 2022
  
  2fbfd884
- ENH: Make CLEASEGui object a singleton. Prevents accidental re-loading and stuff · 44ec3d25
  Alexander Tygesen authored Jun 10, 2022
  
  44ec3d25
- Import perf_counter directly, slightly faster · 81aaa9a2
  Alexander Tygesen authored Jun 10, 2022
  
  81aaa9a2
- ENH: Estimated runtime in MC · c4ddb8e5
  Alexander Tygesen authored Jun 10, 2022
  
  c4ddb8e5
- Count rows button · 54acae7a
  Alexander Tygesen authored Jun 10, 2022
  
  54acae7a
May 24, 2022
- BUG: Append data before we're done in MC · 02b54746
  Alexander Tygesen authored May 24, 2022
  
  02b54746
- ENH: Sublattice boxes now considers missing elements in the basis · 5acace19
  Alexander Tygesen authored May 24, 2022
  
  5acace19
May 20, 2022
- Remove unused code, and add a bit of docstring · d9899158
  Alexander Tygesen authored May 20, 2022
  
  d9899158
- ENH: Fluent updates on runtime during MC · 58d8e968
  Alexander Tygesen authored May 20, 2022
  58d8e968
- Bump version to 0.1.11 · ebcdb135
  Alexander Tygesen authored May 20, 2022
  
  ebcdb135
- ENH: Utilize new reconfigure iter feature in CLEASE · 5d344571
  Alexander Tygesen authored May 20, 2022
  
  View commits for tag v0.1.10 v0.1.10
  5d344571
- Use ase gui, since it uses subprocess. Just don't show energies · e4036cc3
  Alexander Tygesen authored May 20, 2022
  
  e4036cc3
May 09, 2022
- Bump version to 0.1.10 · ef9fda9d
  Alexander Tygesen authored May 09, 2022
  
  ef9fda9d
- 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