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Improve type annotations and comments for io.cif (#3820)
Deploy Jekyll with GitHub Pages dependencies preinstalled #382: Commit bb68c78 pushed by janosh
May 15, 2024 16:34 1m 1s master
May 15, 2024 16:34 1m 1s
Add README in examples folder that point to proper resources.
Deploy Jekyll with GitHub Pages dependencies preinstalled #381: Commit 50043c9 pushed by shyuep
May 15, 2024 14:12 1m 4s master
May 15, 2024 14:12 1m 4s
More updates.
Deploy Jekyll with GitHub Pages dependencies preinstalled #380: Commit 3a97f60 pushed by shyuep
May 15, 2024 14:08 1m 18s master
May 15, 2024 14:08 1m 18s
Add matgenb in the aux link section. Because apparently it is not
Deploy Jekyll with GitHub Pages dependencies preinstalled #379: Commit 232ad97 pushed by shyuep
May 15, 2024 14:03 58s master
May 15, 2024 14:03 58s
move structures out of util dir (#3831)
Deploy Jekyll with GitHub Pages dependencies preinstalled #378: Commit daa5c75 pushed by janosh
May 15, 2024 11:51 1m 16s master
May 15, 2024 11:51 1m 16s
Guard TYPE_CHECKING only imports (#3827)
Deploy Jekyll with GitHub Pages dependencies preinstalled #377: Commit 40b0165 pushed by janosh
May 14, 2024 14:54 1m 7s master
May 14, 2024 14:54 1m 7s
Add types for `core.molecular_orbitals/operations/sites/spectrum/tens…
Deploy Jekyll with GitHub Pages dependencies preinstalled #376: Commit 616abc5 pushed by janosh
May 14, 2024 13:20 1m 9s master
May 14, 2024 13:20 1m 9s
Adapt to the latest version of PWmat output file (#3823)
Deploy Jekyll with GitHub Pages dependencies preinstalled #375: Commit 51180fc pushed by janosh
May 13, 2024 13:27 1m 41s master
May 13, 2024 13:27 1m 41s
Add types for `core.periodic_table/bonds/composition/ion/lattice/libx…
Deploy Jekyll with GitHub Pages dependencies preinstalled #374: Commit 578d29c pushed by janosh
May 12, 2024 12:45 57s master
May 12, 2024 12:45 57s
opt into ruff docstring-code-format = true
Deploy Jekyll with GitHub Pages dependencies preinstalled #373: Commit 2e1c301 pushed by janosh
May 10, 2024 19:35 1m 5s master
May 10, 2024 19:35 1m 5s
Revert backward incompatible symmop rename.
Deploy Jekyll with GitHub Pages dependencies preinstalled #372: Commit 6c696cd pushed by shyuep
May 8, 2024 14:00 1m 2s master
May 8, 2024 14:00 1m 2s
Remove coderabbit.
Deploy Jekyll with GitHub Pages dependencies preinstalled #371: Commit 21919d9 pushed by shyuep
May 8, 2024 13:50 1m 17s master
May 8, 2024 13:50 1m 17s
Re-enable some useful ruff rules (#3813)
Deploy Jekyll with GitHub Pages dependencies preinstalled #370: Commit a9da16e pushed by janosh
May 7, 2024 11:54 1m 20s master
May 7, 2024 11:54 1m 20s
Add a from_ase_atoms() method to Structure (#3812)
Deploy Jekyll with GitHub Pages dependencies preinstalled #369: Commit d9e9ef6 pushed by janosh
May 7, 2024 11:38 56s master
May 7, 2024 11:38 56s
POST request to trigger Atomate2 CI on changes to master
Deploy Jekyll with GitHub Pages dependencies preinstalled #368: Commit 46b018d pushed by janosh
May 6, 2024 19:04 1m 8s master
May 6, 2024 19:04 1m 8s
Cp2kOutput.parse_initial_structure() use regex for line matching to…
Deploy Jekyll with GitHub Pages dependencies preinstalled #367: Commit ad19ffb pushed by janosh
May 6, 2024 15:46 1m 10s master
May 6, 2024 15:46 1m 10s
ruff 0.4.3 auto-fixes (#3808)
Deploy Jekyll with GitHub Pages dependencies preinstalled #366: Commit a16ac39 pushed by janosh
May 4, 2024 11:22 55s master
May 4, 2024 11:22 55s
mixing scheme: change default for verbose (#3806)
Deploy Jekyll with GitHub Pages dependencies preinstalled #365: Commit c43af9b pushed by janosh
May 3, 2024 23:29 57s master
May 3, 2024 23:29 57s
Doc string standardization (#3805)
Deploy Jekyll with GitHub Pages dependencies preinstalled #364: Commit 0594672 pushed by janosh
May 3, 2024 19:53 1m 2s master
May 3, 2024 19:53 1m 2s
Add is_radioactive property to Element class (#3804)
Deploy Jekyll with GitHub Pages dependencies preinstalled #363: Commit 62eed00 pushed by janosh
May 3, 2024 16:29 1m 13s master
May 3, 2024 16:29 1m 13s
doc str: drop "Class for/to/used to/..."
Deploy Jekyll with GitHub Pages dependencies preinstalled #362: Commit 4b2aec8 pushed by janosh
May 2, 2024 17:48 1m 10s master
May 2, 2024 17:48 1m 10s
Imperative get_... method and @property doc strings (#3802)
Deploy Jekyll with GitHub Pages dependencies preinstalled #361: Commit 5f4d33c pushed by janosh
May 2, 2024 16:25 1m 0s master
May 2, 2024 16:25 1m 0s
Fix _get_dipole_info for DDEC6 ChargemolAnalysis and add test cas…
Deploy Jekyll with GitHub Pages dependencies preinstalled #360: Commit 4e7a68d pushed by janosh
May 2, 2024 16:06 1m 3s master
May 2, 2024 16:06 1m 3s
More type annotations (#3800)
Deploy Jekyll with GitHub Pages dependencies preinstalled #359: Commit 87c92e6 pushed by janosh
May 2, 2024 15:20 1m 5s master
May 2, 2024 15:20 1m 5s
Fix overlayed subplots in `BSPlotterProjected.get_projected_plots_dot…
Deploy Jekyll with GitHub Pages dependencies preinstalled #358: Commit a5a4061 pushed by janosh
May 2, 2024 14:28 1m 6s master
May 2, 2024 14:28 1m 6s