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Bugfix: Parsing bugs in io.pwscf.PWInput (#4115)
Deploy Jekyll with GitHub Pages dependencies preinstalled #653: Commit 65e21cc pushed by shyuep
October 21, 2024 20:54 27s master
October 21, 2024 20:54 27s
Migrate ext.COD from mysql to REST API (#4117)
Deploy Jekyll with GitHub Pages dependencies preinstalled #652: Commit aa9bdbf pushed by shyuep
October 21, 2024 20:54 31s master
October 21, 2024 20:54 31s
Fix savefig in pmg.cli.plot (#4109)
Deploy Jekyll with GitHub Pages dependencies preinstalled #651: Commit a28e1da pushed by shyuep
October 21, 2024 20:52 1m 9s master
October 21, 2024 20:52 1m 9s
bump networkx to 2.7 to fix intermittent CI failure when torch in…
Deploy Jekyll with GitHub Pages dependencies preinstalled #650: Commit 8a4822a pushed by shyuep
October 21, 2024 20:52 12m 26s master
October 21, 2024 20:52 12m 26s
fix: preserve site properties over cell transform (#4123)
Deploy Jekyll with GitHub Pages dependencies preinstalled #649: Commit 7b7e61b pushed by shyuep
October 21, 2024 20:51 1m 29s master
October 21, 2024 20:51 1m 29s
Fix gaussian input parser, and add test (#4127)
Deploy Jekyll with GitHub Pages dependencies preinstalled #648: Commit 52eeeea pushed by shyuep
October 21, 2024 20:50 1m 54s master
October 21, 2024 20:50 1m 54s
Make Incar keys case insensitive, fix init Incar from dict val pr…
Deploy Jekyll with GitHub Pages dependencies preinstalled #647: Commit 91f12de pushed by shyuep
October 21, 2024 19:05 13m 6s master
October 21, 2024 19:05 13m 6s
More comprehensive testing.
Deploy Jekyll with GitHub Pages dependencies preinstalled #646: Commit 7b02bf3 pushed by shyuep
October 21, 2024 18:55 1m 10s master
October 21, 2024 18:55 1m 10s
Add VaspDir to root pymatgen.io.vasp.
Deploy Jekyll with GitHub Pages dependencies preinstalled #645: Commit 992e80c pushed by shyuep
October 21, 2024 16:18 1m 24s master
October 21, 2024 16:18 1m 24s
Update reqs.
Deploy Jekyll with GitHub Pages dependencies preinstalled #644: Commit 8569b88 pushed by shyuep
October 21, 2024 16:15 1m 4s master
October 21, 2024 16:15 1m 4s
Merge branch 'master' of github.com:materialsproject/pymatgen
Deploy Jekyll with GitHub Pages dependencies preinstalled #643: Commit 2fc42e7 pushed by shyuep
October 21, 2024 16:01 1m 3s master
October 21, 2024 16:01 1m 3s
doc: explicit the testing procedure (#4124)
Deploy Jekyll with GitHub Pages dependencies preinstalled #642: Commit 81619fa pushed by shyuep
October 19, 2024 16:06 1m 3s master
October 19, 2024 16:06 1m 3s
Add test for upper case keys.
Deploy Jekyll with GitHub Pages dependencies preinstalled #641: Commit ed8542d pushed by shyuep
October 18, 2024 16:18 57s master
October 18, 2024 16:18 57s
Keys should be upper.
Deploy Jekyll with GitHub Pages dependencies preinstalled #640: Commit 392650d pushed by shyuep
October 18, 2024 16:12 1m 0s master
October 18, 2024 16:12 1m 0s
Merge branch 'master' of github.com:materialsproject/pymatgen
Deploy Jekyll with GitHub Pages dependencies preinstalled #639: Commit a27ba28 pushed by shyuep
October 18, 2024 16:00 4m 47s master
October 18, 2024 16:00 4m 47s
Bugfix: Preserve PBC info in AseAtomsAdaptor (#4121)
Deploy Jekyll with GitHub Pages dependencies preinstalled #638: Commit 32d9beb pushed by shyuep
October 17, 2024 20:09 1m 0s master
October 17, 2024 20:09 1m 0s
Add support to LOBSTER >=5.0 (#4065)
Deploy Jekyll with GitHub Pages dependencies preinstalled #637: Commit 9933f45 pushed by shyuep
October 17, 2024 16:32 1m 4s master
October 17, 2024 16:32 1m 4s
VASP Bugfixes: Volumetric data and XDATCAR parsing for monatomic stru…
Deploy Jekyll with GitHub Pages dependencies preinstalled #636: Commit 4f7aa35 pushed by shyuep
October 14, 2024 18:37 1m 8s master
October 14, 2024 18:37 1m 8s
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
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
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
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
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
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
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
October 2, 2024 19:41 23s