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Allow square brackets in composition. Fixes #3583. Deploy Jekyll with GitHub Pages dependencies preinstalled #158: Commit 9604d75 pushed by shyuep
January 25, 2024 15:55 1m 27s master
master
January 25, 2024 15:55 1m 27s
fix variable clash "dist" in zero_d_graph_to_molecule_graph() introdu… Deploy Jekyll with GitHub Pages dependencies preinstalled #157: Commit c0c40dd pushed by janosh
January 25, 2024 06:38 3m 30s master
master
January 25, 2024 06:38 3m 30s
fix zero_d_graph_to_molecule_graph() from variable name clash "dist" … Deploy Jekyll with GitHub Pages dependencies preinstalled #156: Commit 2120dde pushed by janosh
January 25, 2024 06:37 1m 4s master
master
January 25, 2024 06:37 1m 4s
Added threshold_ordering parameter to CollinearMagneticStructureAnaly… Deploy Jekyll with GitHub Pages dependencies preinstalled #155: Commit cb2f490 pushed by janosh
January 25, 2024 06:14 6m 48s master
master
January 25, 2024 06:14 6m 48s
Support parsing of "final_energy" in Q-Chem 6.1.1 (#3580) Deploy Jekyll with GitHub Pages dependencies preinstalled #154: Commit 0b8be98 pushed by janosh
January 25, 2024 06:07 1m 14s master
master
January 25, 2024 06:07 1m 14s
tests/io/aims use numpy.testing.assert_allclose and `pytest.Monke… Deploy Jekyll with GitHub Pages dependencies preinstalled #153: Commit 7e0c8f4 pushed by janosh
January 24, 2024 05:49 1m 12s master
master
January 24, 2024 05:49 1m 12s
Fix floating point imprecision error in ordering property of Collinea… Deploy Jekyll with GitHub Pages dependencies preinstalled #152: Commit f392c8d pushed by janosh
January 23, 2024 19:23 5m 32s master
master
January 23, 2024 19:23 5m 32s
Merge branch 'master' of github.com:materialsproject/pymatgen Deploy Jekyll with GitHub Pages dependencies preinstalled #151: Commit b5c7d06 pushed by shyuep
January 23, 2024 18:04 1m 31s master
master
January 23, 2024 18:04 1m 31s
test add_site_property() ValueError msg Deploy Jekyll with GitHub Pages dependencies preinstalled #150: Commit fa6309c pushed by janosh
January 23, 2024 13:27 1m 12s master
master
January 23, 2024 13:27 1m 12s
Return self in SiteCollection spin/oxi state add/remove methods (… Deploy Jekyll with GitHub Pages dependencies preinstalled #149: Commit b0e4eb2 pushed by janosh
January 23, 2024 12:38 1m 20s master
master
January 23, 2024 12:38 1m 20s
rename single-letter variables f->file Deploy Jekyll with GitHub Pages dependencies preinstalled #148: Commit f9e2830 pushed by janosh
January 23, 2024 12:19 1m 8s master
master
January 23, 2024 12:19 1m 8s
CONSTANT_CASE module-scoped TEST_DIR Deploy Jekyll with GitHub Pages dependencies preinstalled #147: Commit 59a76b5 pushed by janosh
January 23, 2024 10:20 1m 8s master
master
January 23, 2024 10:20 1m 8s
CONSTANT_CASE module-scoped TEST_DIR Deploy Jekyll with GitHub Pages dependencies preinstalled #146: Commit 84d3a4c pushed by janosh
January 23, 2024 10:05 1m 19s master
master
January 23, 2024 10:05 1m 19s
CONSTANT_CASE module-scoped TEST_DIR Deploy Jekyll with GitHub Pages dependencies preinstalled #145: Commit e239659 pushed by janosh
January 23, 2024 09:50 1m 15s master
master
January 23, 2024 09:50 1m 15s
add test for NEBAnalysis.get_plot() (#3570) Deploy Jekyll with GitHub Pages dependencies preinstalled #144: Commit 42ebece pushed by janosh
January 22, 2024 19:49 1m 5s master
master
January 22, 2024 19:49 1m 5s
Fix highly-nested parens when formula parsing in Composition (#3569) Deploy Jekyll with GitHub Pages dependencies preinstalled #143: Commit e085343 pushed by janosh
January 22, 2024 16:27 1m 3s master
master
January 22, 2024 16:27 1m 3s
Lazy import pandas in Structure.as_dataframe() to improve startup… Deploy Jekyll with GitHub Pages dependencies preinstalled #142: Commit 6e9a033 pushed by janosh
January 22, 2024 16:13 1m 14s master
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January 22, 2024 16:13 1m 14s
rename single-letter loop vars Deploy Jekyll with GitHub Pages dependencies preinstalled #141: Commit 20475b6 pushed by janosh
January 22, 2024 14:59 1m 28s master
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January 22, 2024 14:59 1m 28s
Ruff fixes (#3564) Deploy Jekyll with GitHub Pages dependencies preinstalled #140: Commit b74a5df pushed by janosh
January 20, 2024 14:32 1m 11s master
master
January 20, 2024 14:32 1m 11s
Standardise and update VASP input sets (#3484) Deploy Jekyll with GitHub Pages dependencies preinstalled #139: Commit e502e33 pushed by janosh
January 20, 2024 07:12 1m 1s master
master
January 20, 2024 07:12 1m 1s
Add pymatgen.io.pwmat module (#3512) Deploy Jekyll with GitHub Pages dependencies preinstalled #138: Commit 0d7e6cd pushed by janosh
January 18, 2024 11:21 1m 18s master
master
January 18, 2024 11:21 1m 18s
rename cif_assessor_tol to comp_tol Deploy Jekyll with GitHub Pages dependencies preinstalled #137: Commit e6cc11c pushed by janosh
January 17, 2024 20:34 1m 9s master
master
January 17, 2024 20:34 1m 9s
Deprecate Structure.ntypesp replaced by Structure.n_elems (#3562) Deploy Jekyll with GitHub Pages dependencies preinstalled #136: Commit b76ebb8 pushed by janosh
January 17, 2024 19:11 1m 2s master
master
January 17, 2024 19:11 1m 2s
Remove deprecated (to|from|as|get)_string methods (#3561) Deploy Jekyll with GitHub Pages dependencies preinstalled #135: Commit 7da8d0a pushed by janosh
January 17, 2024 13:42 1m 8s master
master
January 17, 2024 13:42 1m 8s
Pass file IO modes as kwarg (#3560) Deploy Jekyll with GitHub Pages dependencies preinstalled #134: Commit 021a280 pushed by janosh
January 17, 2024 12:37 1m 4s master
master
January 17, 2024 12:37 1m 4s
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