v0.4.0

What's Changed

• BMIM Cl bond formation benchmark by @PythonFZ in #334
• Add QUID benchmark by @kuryla in #402
• Silicon interstitial NEBs by @zwei-beiner in #326
• Float64 precision for static tests by @kuryla in #408
• ACONFL by @kuryla in #389
• Add loading wheels to site load and tab switching by @joehart2001 in #414
• Update pre-commit by @ElliottKasoar in #418
• show file path in weas app by @joehart2001 in #417
• Density scatter -> structures by @joehart2001 in #416
• Update and add bounds for dependencies by @ElliottKasoar in #419
• change trained on d3 to trained on dispersion + related names by @joehart2001 in #413
• Bump tornado from 6.5.4 to 6.5.5 by @dependabot[bot] in #422
• Add link to tutorial notebook in readme by @joehart2001 in #415
• Bump orjson from 3.11.5 to 3.11.6 by @dependabot[bot] in #424
• Bump pyjwt from 2.10.1 to 2.12.0 by @dependabot[bot] in #428
• Bump pyasn1 from 0.6.2 to 0.6.3 by @dependabot[bot] in #430
• apply configured weights by @joehart2001 in #432
• Bump ujson from 5.11.0 to 5.12.0 by @dependabot[bot] in #435
• Bump pygments from 2.19.2 to 2.20.0 by @dependabot[bot] in #440
• Bump cryptography from 46.0.3 to 46.0.6 by @dependabot[bot] in #439
• Bump requests from 2.32.5 to 2.33.0 by @dependabot[bot] in #438
• model selection by @joehart2001 in #378
• Bump aiohttp from 3.13.3 to 3.13.4 by @dependabot[bot] in #442
• Liquid densities by @kuryla in #388
• Adding SBH17 surface barriers benchmark by @gkleryoung in #375
• Water density by @kuryla in #423
• Update Orb by @ElliottKasoar in #443
• Add navigation sidebar and pages by @ElliottKasoar in #441
• Tighten glob pattern to exclude pyc files by @ElliottKasoar in #448
• fix initial metric weight propagation to the overall summary table by @joehart2001 in #447
• Fix loading assets by @ElliottKasoar in #450
• Bump pillow from 12.1.0 to 12.1.1 by @dependabot[bot] in #453
• Bump nbconvert from 7.16.6 to 7.17.0 by @dependabot[bot] in #454
• Bump werkzeug from 3.1.5 to 3.1.6 by @dependabot[bot] in #455
• Bump cryptography from 46.0.6 to 46.0.7 by @dependabot[bot] in #456
• move score col to first col by @joehart2001 in #452
• Extend titles and fix browser tab name by @joehart2001 in #451
• Bump uv from 0.9.26 to 0.11.6 by @dependabot[bot] in #459
• Bump flask from 3.1.2 to 3.1.3 by @dependabot[bot] in #464
• Add tags to ingested tests and provide dedicated tabs by @joehart2001 in #434
• Update fairchem by @ElliottKasoar in #465
• Bump pytest from 8.4.2 to 9.0.3 by @dependabot[bot] in #466
• Bump pillow from 12.1.1 to 12.2.0 by @dependabot[bot] in #467
• Graphene wetting benchmark by @dwl38 in #333
• Use high precision for static tests by @ElliottKasoar in #472
• Set missing default spin and charge and tidy by @ElliottKasoar in #471
• Add max steps to geomopt before MD by @ElliottKasoar in #474
• Update mattersim by @ElliottKasoar in #475
• Round spin in SBH17 test by @ElliottKasoar in #476
• ⚡ Bolt: Cache yaml loading in get_models.py by @alinelena in #462
• Add UMA 1.2 by @ElliottKasoar in #486
• Add summary info by @ElliottKasoar in #485

New Contributors

• @PythonFZ made their first contribution in #334
• @zwei-beiner made their first contribution in #326
• @gkleryoung made their first contribution in #375
• @dwl38 made their first contribution in #333

Full Changelog: v0.3.1...v0.4.0