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(Structure|Molecule).alphabetical_formula (#3478)
Deploy Jekyll with GitHub Pages dependencies preinstalled #68: Commit 27066d3 pushed by janosh
November 18, 2023 04:31 5m 24s master
November 18, 2023 04:31 5m 24s
Improve doc strings substitution_probability.py (#3477)
Deploy Jekyll with GitHub Pages dependencies preinstalled #67: Commit 7575993 pushed by janosh
November 17, 2023 14:54 1m 17s master
November 17, 2023 14:54 1m 17s
add units to ElasticTensor methods
Deploy Jekyll with GitHub Pages dependencies preinstalled #66: Commit 1e7f93a pushed by janosh
November 16, 2023 20:12 1m 13s master
November 16, 2023 20:12 1m 13s
fix typos
Deploy Jekyll with GitHub Pages dependencies preinstalled #65: Commit bc5edc5 pushed by janosh
November 15, 2023 22:21 1m 9s master
November 15, 2023 22:21 1m 9s
Define PBE64Base.yaml for new VASP PBE_64 POTCARs (#3470)
Deploy Jekyll with GitHub Pages dependencies preinstalled #64: Commit f7c92fa pushed by janosh
November 15, 2023 20:02 1m 28s master
November 15, 2023 20:02 1m 28s
refactor data file paths
Deploy Jekyll with GitHub Pages dependencies preinstalled #63: Commit 3ebcbad pushed by janosh
November 15, 2023 04:39 1m 18s master
November 15, 2023 04:39 1m 18s
fix doc str indentation
Deploy Jekyll with GitHub Pages dependencies preinstalled #62: Commit 637ada0 pushed by janosh
November 15, 2023 04:12 1m 14s master
November 15, 2023 04:12 1m 14s
fix doc str indentation
Deploy Jekyll with GitHub Pages dependencies preinstalled #61: Commit af2ed4d pushed by janosh
November 15, 2023 03:52 1m 6s master
November 15, 2023 03:52 1m 6s
replace tests 'str(x) is not None' with actual expected value (#3472)
Deploy Jekyll with GitHub Pages dependencies preinstalled #60: Commit 6e94085 pushed by janosh
November 14, 2023 16:16 1m 11s master
November 14, 2023 16:16 1m 11s
replace all numpy.testing.assert_array_almost_equal with assert_allclose
Deploy Jekyll with GitHub Pages dependencies preinstalled #59: Commit 8aee215 pushed by janosh
November 14, 2023 01:46 1m 7s master
November 14, 2023 01:46 1m 7s
replace all numpy.testing.assert_array_almost_equal with assert_allclose
Deploy Jekyll with GitHub Pages dependencies preinstalled #58: Commit 2dae5e0 pushed by janosh
November 14, 2023 01:21 1m 6s master
November 14, 2023 01:21 1m 6s
v2023.11.12
Deploy Jekyll with GitHub Pages dependencies preinstalled #57: Commit 7c5c79f pushed by janosh
November 13, 2023 03:06 1m 13s master
November 13, 2023 03:06 1m 13s
fix TestAdfInput.test_main TypeError: unsupported operand type(s) for…
Deploy Jekyll with GitHub Pages dependencies preinstalled #56: Commit 012aacb pushed by janosh
November 13, 2023 03:00 1m 7s master
November 13, 2023 03:00 1m 7s
rename single-letter vars like m->mol, a->pg_analyzer
Deploy Jekyll with GitHub Pages dependencies preinstalled #55: Commit 90e95e2 pushed by janosh
November 13, 2023 02:40 1m 25s master
November 13, 2023 02:40 1m 25s
Add Composition.charge and charge_balanced` properties (#3471)
Deploy Jekyll with GitHub Pages dependencies preinstalled #54: Commit b263508 pushed by janosh
November 13, 2023 01:23 1m 22s master
November 13, 2023 01:23 1m 22s
analysis/local_env.py add type annotations
Deploy Jekyll with GitHub Pages dependencies preinstalled #53: Commit 3fd37f5 pushed by janosh
November 12, 2023 23:46 1m 16s master
November 12, 2023 23:46 1m 16s
Vasprun type hints
Deploy Jekyll with GitHub Pages dependencies preinstalled #52: Commit e572750 pushed by janosh
November 11, 2023 20:56 1m 14s master
November 11, 2023 20:56 1m 14s
Hot fix: pymatgen package missing potcar-summary-stats.json.bz2 (…
Deploy Jekyll with GitHub Pages dependencies preinstalled #51: Commit f9625e5 pushed by janosh
November 10, 2023 23:04 1m 5s master
November 10, 2023 23:04 1m 5s
v2023.11.10
Deploy Jekyll with GitHub Pages dependencies preinstalled #50: Commit 3b7b410 pushed by janosh
November 10, 2023 21:26 1m 33s master
November 10, 2023 21:26 1m 33s
v2023.11.10
Deploy Jekyll with GitHub Pages dependencies preinstalled #49: Commit 76fe8e2 pushed by janosh
November 10, 2023 21:25 1m 33s master
November 10, 2023 21:25 1m 33s
f-strings
Deploy Jekyll with GitHub Pages dependencies preinstalled #48: Commit 3214fe0 pushed by janosh
November 10, 2023 16:36 1m 21s master
November 10, 2023 16:36 1m 21s
f-strings
Deploy Jekyll with GitHub Pages dependencies preinstalled #47: Commit f598f17 pushed by janosh
November 10, 2023 16:17 1m 37s master
November 10, 2023 16:17 1m 37s
limit oxi state float precision in Species __str|repr__ to .2f
Deploy Jekyll with GitHub Pages dependencies preinstalled #46: Commit d95e2ad pushed by janosh
November 10, 2023 04:02 1m 31s master
November 10, 2023 04:02 1m 31s
Aims bug fixes (#3466)
Deploy Jekyll with GitHub Pages dependencies preinstalled #45: Commit 77a92bd pushed by janosh
November 9, 2023 20:19 1m 8s master
November 9, 2023 20:19 1m 8s
Module-scoped imports (#3464)
Deploy Jekyll with GitHub Pages dependencies preinstalled #44: Commit 605757f pushed by janosh
November 9, 2023 18:39 1m 16s master
November 9, 2023 18:39 1m 16s
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