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Ion: bugfix for CO2(aq) reduced formula (#4099) Deploy Jekyll with GitHub Pages dependencies preinstalled #635: Commit 668f1aa pushed by shyuep
October 10, 2024 18:48 1m 1s master
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October 10, 2024 18:48 1m 1s
Support to aims format from Structure instance (#4103) Deploy Jekyll with GitHub Pages dependencies preinstalled #634: Commit 7e42635 pushed by shyuep
October 10, 2024 18:35 1m 5s master
master
October 10, 2024 18:35 1m 5s
added ramannoodle external package to addons.md (#4094) Deploy Jekyll with GitHub Pages dependencies preinstalled #633: Commit 3e25f74 pushed by shyuep
October 4, 2024 01:49 1m 2s master
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October 4, 2024 01:49 1m 2s
Update docs Deploy Jekyll with GitHub Pages dependencies preinstalled #632: Commit 557277e pushed by shyuep
October 3, 2024 17:13 3m 0s master
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October 3, 2024 17:13 3m 0s
Install BoltzTraP2 directly through uv (#4076) Deploy Jekyll with GitHub Pages dependencies preinstalled #631: Commit 862fa35 pushed by shyuep
October 2, 2024 20:12 1m 9s master
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October 2, 2024 20:12 1m 9s
Fix dict equality check with numpy array (#4086) Deploy Jekyll with GitHub Pages dependencies preinstalled #630: Commit 4c76b58 pushed by shyuep
October 2, 2024 19:41 11m 51s master
master
October 2, 2024 19:41 11m 51s
Fix usage of strict=True for zip in cp2k.outputs (#4084) Deploy Jekyll with GitHub Pages dependencies preinstalled #629: Commit 47b1b42 pushed by shyuep
October 2, 2024 19:41 23s master
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October 2, 2024 19:41 23s
Fix bug with species defaults (#4083) Deploy Jekyll with GitHub Pages dependencies preinstalled #628: Commit b4bc03d pushed by shyuep
October 2, 2024 19:39 7m 54s master
master
October 2, 2024 19:39 7m 54s
qchem.outputs.py change for FFOpt with Q-chem 6.1.1+ (#4087) Deploy Jekyll with GitHub Pages dependencies preinstalled #627: Commit d81568b pushed by shyuep
October 2, 2024 19:39 1m 2s master
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October 2, 2024 19:39 1m 2s
SLME Bug Fixes (#4082) Deploy Jekyll with GitHub Pages dependencies preinstalled #626: Commit fa62ff4 pushed by mkhorton
September 27, 2024 02:17 1m 9s master
master
September 27, 2024 02:17 1m 9s
Return bool instead of np.bool_ (#4074) Deploy Jekyll with GitHub Pages dependencies preinstalled #625: Commit e9ea813 pushed by mkhorton
September 24, 2024 22:14 1m 7s master
master
September 24, 2024 22:14 1m 7s
Update addons.md (#4069) Deploy Jekyll with GitHub Pages dependencies preinstalled #624: Commit ea7c339 pushed by shyuep
September 18, 2024 01:13 10m 51s master
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September 18, 2024 01:13 10m 51s
Fix: fixed electronic step check with algo = exact and nelm = 1 (#4071) Deploy Jekyll with GitHub Pages dependencies preinstalled #623: Commit 67e65fd pushed by shyuep
September 18, 2024 01:12 33s master
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September 18, 2024 01:12 33s
Update docs Deploy Jekyll with GitHub Pages dependencies preinstalled #622: Commit 25efe6f pushed by shyuep
September 18, 2024 01:11 9m 3s master
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September 18, 2024 01:11 9m 3s
fix chempot_diagram (#4072) Deploy Jekyll with GitHub Pages dependencies preinstalled #621: Commit d6204d9 pushed by shyuep
September 18, 2024 01:08 1m 5s master
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September 18, 2024 01:08 1m 5s
Update docs Deploy Jekyll with GitHub Pages dependencies preinstalled #620: Commit 150f816 pushed by shyuep
September 17, 2024 03:19 1m 15s master
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September 17, 2024 03:19 1m 15s
Updated changelog. Deploy Jekyll with GitHub Pages dependencies preinstalled #619: Commit b373410 pushed by shyuep
September 17, 2024 03:17 56s master
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September 17, 2024 03:17 56s
fix phase diagram break from 41e6d99 (#4070) Deploy Jekyll with GitHub Pages dependencies preinstalled #618: Commit 96b3284 pushed by shyuep
September 17, 2024 03:09 1m 8s master
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September 17, 2024 03:09 1m 8s
improve and test PmgVaspPspDirError msg in PotcarSingle.from_symbol_a… Deploy Jekyll with GitHub Pages dependencies preinstalled #617: Commit ebfc7a0 pushed by janosh
September 15, 2024 23:48 1m 2s master
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September 15, 2024 23:48 1m 2s
Fix all ruff DOC202 (#4067) Deploy Jekyll with GitHub Pages dependencies preinstalled #616: Commit 60464fd pushed by janosh
September 13, 2024 18:06 1m 10s master
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September 13, 2024 18:06 1m 10s
(Not) Use setup-uv in CI tests workflow (#4063) Deploy Jekyll with GitHub Pages dependencies preinstalled #615: Commit 7743ac7 pushed by janosh
September 13, 2024 10:58 1m 1s master
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September 13, 2024 10:58 1m 1s
Fix lll_reduce for slab generation (#3927) Deploy Jekyll with GitHub Pages dependencies preinstalled #614: Commit 6bb2938 pushed by janosh
September 11, 2024 12:52 1m 24s master
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September 11, 2024 12:52 1m 24s
Use distinct names for artifacts (#4059) Deploy Jekyll with GitHub Pages dependencies preinstalled #613: Commit 1ff1ba5 pushed by janosh
September 10, 2024 17:50 4m 53s master
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September 10, 2024 17:50 4m 53s
fix cibuildwheel: No build identifiers selected: BuildSelector(build_… Deploy Jekyll with GitHub Pages dependencies preinstalled #612: Commit 48e7c98 pushed by janosh
September 10, 2024 14:05 3m 21s master
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September 10, 2024 14:05 3m 21s
v2024.9.10 Deploy Jekyll with GitHub Pages dependencies preinstalled #611: Commit 6012a68 pushed by janosh
September 10, 2024 13:13 1m 9s master
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September 10, 2024 13:13 1m 9s