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Update docs
Deploy Jekyll with GitHub Pages dependencies preinstalled #765: Commit 0d14d72 pushed by shyuep
January 9, 2025 21:14 7m 12s master
January 9, 2025 21:14 7m 12s
Update change log.
Deploy Jekyll with GitHub Pages dependencies preinstalled #764: Commit a8c2b01 pushed by shyuep
January 9, 2025 20:43 8m 15s master
January 9, 2025 20:43 8m 15s
[Breaking/Fix] Skip isotopes when iterating through core.Element (#…
Deploy Jekyll with GitHub Pages dependencies preinstalled #763: Commit 27230b1 pushed by shyuep
January 9, 2025 20:38 5m 6s master
January 9, 2025 20:38 5m 6s
Explicit UTF-8 encoding for VASP input files with zopen, and open
Deploy Jekyll with GitHub Pages dependencies preinstalled #762: Commit 777a6b2 pushed by shyuep
January 9, 2025 20:38 27s master
January 9, 2025 20:38 27s
Fix array comparison in core.Structure.merge_sites, also allow `int…
Deploy Jekyll with GitHub Pages dependencies preinstalled #761: Commit 361106f pushed by shyuep
January 9, 2025 20:35 2m 45s master
January 9, 2025 20:35 2m 45s
Clean up util.num.make_symmetric_matrix_from_upper_tri and `util.io…
Deploy Jekyll with GitHub Pages dependencies preinstalled #760: Commit 9918e89 pushed by shyuep
January 9, 2025 20:34 23s master
January 9, 2025 20:34 23s
Remove unnecesary isotope conversion in `core.periodic_table.get_el_s…
Deploy Jekyll with GitHub Pages dependencies preinstalled #759: Commit e6aabc0 pushed by shyuep
January 9, 2025 20:34 9m 17s master
January 9, 2025 20:34 9m 17s
Change get default from empty list ([]) to False when used as `…
Deploy Jekyll with GitHub Pages dependencies preinstalled #758: Commit 2f8d6ae pushed by shyuep
January 9, 2025 18:14 8m 11s master
January 9, 2025 18:14 8m 11s
Reapply zopen explicit UTF-8 encoding, enable optional `EncodingWar…
Deploy Jekyll with GitHub Pages dependencies preinstalled #757: Commit 009a234 pushed by shyuep
January 9, 2025 18:13 4m 9s master
January 9, 2025 18:13 4m 9s
REformat using latest ruff.
Deploy Jekyll with GitHub Pages dependencies preinstalled #756: Commit fb1ca91 pushed by shyuep
January 9, 2025 18:10 1m 9s master
January 9, 2025 18:10 1m 9s
Merge branch 'master' of github.com:materialsproject/pymatgen
Deploy Jekyll with GitHub Pages dependencies preinstalled #755: Commit 1d013f3 pushed by shyuep
January 9, 2025 16:46 18m 41s master
January 9, 2025 16:46 18m 41s
Fix ion formula check in ion_or_solid_comp_object of `analysis.pour…
Deploy Jekyll with GitHub Pages dependencies preinstalled #754: Commit 357297f pushed by shyuep
January 9, 2025 16:45 1m 19s master
January 9, 2025 16:45 1m 19s
AseAtomsAdaptor: Support arbitrary selective dynamics constraints (#4…
Deploy Jekyll with GitHub Pages dependencies preinstalled #753: Commit 4be17da pushed by shyuep
January 9, 2025 16:44 20m 50s master
January 9, 2025 16:44 20m 50s
Fix linting.
Deploy Jekyll with GitHub Pages dependencies preinstalled #752: Commit 7f9b758 pushed by shyuep
January 9, 2025 16:42 1m 57s master
January 9, 2025 16:42 1m 57s
Add new MP input sets / concurrently update MatPES POTCARs (#3916)
Deploy Jekyll with GitHub Pages dependencies preinstalled #751: Commit 266e85a pushed by shyuep
January 9, 2025 16:37 1m 3s master
January 9, 2025 16:37 1m 3s
Remove is_rare_earth_metal from ElementBase (periodic_table.py) (…
Deploy Jekyll with GitHub Pages dependencies preinstalled #750: Commit e2baa68 pushed by shyuep
January 7, 2025 21:47 8m 33s master
January 7, 2025 21:47 8m 33s
Fix CI failure for io.exciting.inputs owing to scipy constant upd…
Deploy Jekyll with GitHub Pages dependencies preinstalled #749: Commit 9b4623d pushed by shyuep
January 7, 2025 21:46 32s master
January 7, 2025 21:46 32s
pre-commit autoupdate (#4245)
Deploy Jekyll with GitHub Pages dependencies preinstalled #748: Commit 3cb5ea4 pushed by shyuep
January 7, 2025 21:46 8m 8s master
January 7, 2025 21:46 8m 8s
Bump phonopy to apply fix for NumPy 2 in Windows (#4227)
Deploy Jekyll with GitHub Pages dependencies preinstalled #747: Commit 1abc459 pushed by shyuep
December 31, 2024 22:18 16m 21s master
December 31, 2024 22:18 16m 21s
Replace some deprecated API (#4228)
Deploy Jekyll with GitHub Pages dependencies preinstalled #746: Commit 3be22d0 pushed by shyuep
December 31, 2024 22:18 21s master
December 31, 2024 22:18 21s
Drop GULP libs from code base (#4234)
Deploy Jekyll with GitHub Pages dependencies preinstalled #745: Commit 5937743 pushed by shyuep
December 31, 2024 22:16 1m 16s master
December 31, 2024 22:16 1m 16s
[Feature] Added Pure Random Algo to `OrderDisorderedStructureTransfor…
Deploy Jekyll with GitHub Pages dependencies preinstalled #744: Commit 9d3d82c pushed by shyuep
December 31, 2024 22:16 7m 42s master
December 31, 2024 22:16 7m 42s
Fix DOS parsing for SOC calculations (#4239)
Deploy Jekyll with GitHub Pages dependencies preinstalled #743: Commit 300a33e pushed by shyuep
December 31, 2024 22:15 1m 1s master
December 31, 2024 22:15 1m 1s
Skip another failing Phonopy test in Windows after NumPy bumped to …
Deploy Jekyll with GitHub Pages dependencies preinstalled #742: Commit da607e8 pushed by shyuep
December 12, 2024 22:33 1m 36s master
December 12, 2024 22:33 1m 36s
Modify FHI-aims inputs to not use species string (#4177)
Deploy Jekyll with GitHub Pages dependencies preinstalled #741: Commit 653714e pushed by shyuep
December 11, 2024 14:46 46m 30s master
December 11, 2024 14:46 46m 30s