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Skip openff tests if openbabel is not present.
Deploy Jekyll with GitHub Pages dependencies preinstalled #560: Commit 2adfe8f pushed by shyuep
August 9, 2024 13:48 1m 2s master
August 9, 2024 13:48 1m 2s
Updating Ternary and Quaternary Plots (#3948)
Deploy Jekyll with GitHub Pages dependencies preinstalled #559: Commit 289d281 pushed by shyuep
August 9, 2024 13:22 5m 32s master
August 9, 2024 13:22 5m 32s
Bump rexml from 3.2.8 to 3.3.3 in /docs (#3965)
Deploy Jekyll with GitHub Pages dependencies preinstalled #558: Commit eb392d3 pushed by shyuep
August 9, 2024 13:20 6m 18s master
August 9, 2024 13:20 6m 18s
Fix mypy errors for io.cp2k (#3984)
Deploy Jekyll with GitHub Pages dependencies preinstalled #557: Commit 25f0a9c pushed by shyuep
August 9, 2024 13:20 1m 3s master
August 9, 2024 13:20 1m 3s
Revert "make step_size for CubicSupercellTransformation.apply_transfo…
Deploy Jekyll with GitHub Pages dependencies preinstalled #556: Commit b01f282 pushed by shyuep
August 9, 2024 13:18 1m 6s master
August 9, 2024 13:18 1m 6s
make step_size for CubicSupercellTransformation.apply_transformation …
Deploy Jekyll with GitHub Pages dependencies preinstalled #555: Commit 123abac pushed by JaGeo
August 9, 2024 10:41 1m 4s master
August 9, 2024 10:41 1m 4s
v2024.8.8
Deploy Jekyll with GitHub Pages dependencies preinstalled #554: Commit 45b9fac pushed by janosh
August 9, 2024 00:14 1m 0s master
August 9, 2024 00:14 1m 0s
Fix mypy errors on master branch (#3977)
Deploy Jekyll with GitHub Pages dependencies preinstalled #553: Commit dbc68be pushed by janosh
August 9, 2024 00:07 1m 12s master
August 9, 2024 00:07 1m 12s
fix print in assert msg returning None, so empty msg
Deploy Jekyll with GitHub Pages dependencies preinstalled #552: Commit 0e90789 pushed by janosh
August 8, 2024 23:43 57s master
August 8, 2024 23:43 57s
Assign frame properties to molecule/structure when indexing trajector…
Deploy Jekyll with GitHub Pages dependencies preinstalled #551: Commit a3b0ddb pushed by janosh
August 8, 2024 23:33 1m 1s master
August 8, 2024 23:33 1m 1s
change Trajectory._check_site_props: Assertion->ValueError
Deploy Jekyll with GitHub Pages dependencies preinstalled #550: Commit 61b02a5 pushed by janosh
August 8, 2024 23:18 58s master
August 8, 2024 23:18 58s
build against NPY2 (#3894)
Deploy Jekyll with GitHub Pages dependencies preinstalled #549: Commit ce360f4 pushed by janosh
August 8, 2024 23:03 1m 8s master
August 8, 2024 23:03 1m 8s
Check Inputs to Trajectory. (#3978)
Deploy Jekyll with GitHub Pages dependencies preinstalled #548: Commit a485c55 pushed by janosh
August 8, 2024 15:30 57s master
August 8, 2024 15:30 57s
Enable Ruff rule family "N" and "S" (#3892)
Deploy Jekyll with GitHub Pages dependencies preinstalled #547: Commit fa8d596 pushed by janosh
August 7, 2024 20:06 1m 28s master
August 7, 2024 20:06 1m 28s
rm src/pymatgen/io/vasp/sets.py
Deploy Jekyll with GitHub Pages dependencies preinstalled #546: Commit c20cd62 pushed by janosh
August 7, 2024 19:08 55s master
August 7, 2024 19:08 55s
Split VASP input sets into submodules (#3865)
Deploy Jekyll with GitHub Pages dependencies preinstalled #545: Commit 81b802e pushed by janosh
August 7, 2024 18:54 59s master
August 7, 2024 18:54 59s
Add OPTIMADE adapter (#3876)
Deploy Jekyll with GitHub Pages dependencies preinstalled #544: Commit fce45f6 pushed by janosh
August 7, 2024 17:53 1m 4s master
August 7, 2024 17:53 1m 4s
Fix d2k function (#3932)
Deploy Jekyll with GitHub Pages dependencies preinstalled #543: Commit 252efa7 pushed by janosh
August 6, 2024 15:53 1m 8s master
August 6, 2024 15:53 1m 8s
Install some optional dependencies in CI (#3786)
Deploy Jekyll with GitHub Pages dependencies preinstalled #542: Commit 7a01f3c pushed by janosh
August 6, 2024 14:57 1m 7s master
August 6, 2024 14:57 1m 7s
Bugfix: io.pwscf.PWInput.from_str() (#3931)
Deploy Jekyll with GitHub Pages dependencies preinstalled #541: Commit 99f62d2 pushed by janosh
August 6, 2024 14:36 1m 5s master
August 6, 2024 14:36 1m 5s
test_graph: add filename only to pdf list (#3972)
Deploy Jekyll with GitHub Pages dependencies preinstalled #540: Commit 4ffec03 pushed by janosh
August 5, 2024 11:18 1m 3s master
August 5, 2024 11:18 1m 3s
del accidental left-over debug code
Deploy Jekyll with GitHub Pages dependencies preinstalled #539: Commit 00a24e5 pushed by janosh
August 4, 2024 15:58 59s master
August 4, 2024 15:58 59s
fix StandardTransmuter.append_transformation promising list[bool] but…
Deploy Jekyll with GitHub Pages dependencies preinstalled #538: Commit 511c90f pushed by janosh
August 4, 2024 15:00 58s master
August 4, 2024 15:00 58s
fix missing types in doc string args
Deploy Jekyll with GitHub Pages dependencies preinstalled #537: Commit 4a1522c pushed by janosh
August 4, 2024 14:58 1m 4s master
August 4, 2024 14:58 1m 4s
fix double spaces in doc strings
Deploy Jekyll with GitHub Pages dependencies preinstalled #536: Commit e06afe9 pushed by janosh
August 4, 2024 14:06 1m 24s master
August 4, 2024 14:06 1m 24s