Simmate

What's Changed
* fix guide typos and bugs 🎓 by jacksund in https://github.com/jacksund/simmate/pull/613
* prep v0.16.1 release by jacksund in https://github.com/jacksund/simmate/pull/614


**Full Changelog**: https://github.com/jacksund/simmate/compare/v0.16.0...v0.16.1

What's Changed
* refactor yaml configs and settings ⚙️ by jacksund in https://github.com/jacksund/simmate/pull/593
* add workflow decorator 🎀 by jacksund in https://github.com/jacksund/simmate/pull/600
* improve incar config for vasp flows 🍰 by jacksund in https://github.com/jacksund/simmate/pull/601
* add gitattributes config 🧼 by jacksund in https://github.com/jacksund/simmate/pull/602
* fix user given commands 🦋 by jacksund in https://github.com/jacksund/simmate/pull/603
* update qe app ☕ by jacksund in https://github.com/jacksund/simmate/pull/605
* update black 🖤 by jacksund in https://github.com/jacksund/simmate/pull/608
* refactor guides & use docker 🐳 by jacksund in https://github.com/jacksund/simmate/pull/604
* add config utils 🧰 by jacksund in https://github.com/jacksund/simmate/pull/609
* Add bader dockerfile 🐬 by jacksund in https://github.com/jacksund/simmate/pull/612
* prep v0.16.0 release 🧾 by jacksund in https://github.com/jacksund/simmate/pull/610


**Full Changelog**: https://github.com/jacksund/simmate/compare/v0.15.1...v0.16.0

What's Changed
* clean docs using AI 💻 by jacksund in https://github.com/jacksund/simmate/pull/590
* reorganize docs 📚 by jacksund in https://github.com/jacksund/simmate/pull/591
* Fix badelf and add tests by SWeav02 in https://github.com/jacksund/simmate/pull/588
* prep release 🔥 by jacksund in https://github.com/jacksund/simmate/pull/597


**Full Changelog**: https://github.com/jacksund/simmate/compare/v0.15.0...v0.15.1

What's Changed
* Update mp-api to <0.33.4 🤖 by dependabot in https://github.com/jacksund/simmate/pull/470
* Update coverage to <7.2.8 :robot: by dependabot in https://github.com/jacksund/simmate/pull/472
* add unicorn styling 🦄 by jacksund in https://github.com/jacksund/simmate/pull/477
* fix sqlite filtering bug 🦋 by jacksund in https://github.com/jacksund/simmate/pull/476
* Update django to <4.2.3 :robot: by dependabot in https://github.com/jacksund/simmate/pull/471
* Update dask to <2023.7.0 :robot: by dependabot in https://github.com/jacksund/simmate/pull/473
* allow custom web templates and static 🕷️ by jacksund in https://github.com/jacksund/simmate/pull/481
* add utils for pending jobs 🔨 by jacksund in https://github.com/jacksund/simmate/pull/482
* Update website ui 🎨 by jacksund in https://github.com/jacksund/simmate/pull/486
* ensure css and js are packaged 📦 by jacksund in https://github.com/jacksund/simmate/pull/487
* Update migrations and archives 📚 by jacksund in https://github.com/jacksund/simmate/pull/483
* fix data explorer counting ⌛ by jacksund in https://github.com/jacksund/simmate/pull/488
* allow required login and microsoft auth 🔑 by jacksund in https://github.com/jacksund/simmate/pull/493
* use https in prod servers 🧷 by jacksund in https://github.com/jacksund/simmate/pull/494
* add history tracking 🖊️ by jacksund in https://github.com/jacksund/simmate/pull/495
* Update dask-jobqueue to <=0.8.2 🤖 by dependabot in https://github.com/jacksund/simmate/pull/490
* Update pytest-mock to <3.11.2 :robot: by dependabot in https://github.com/jacksund/simmate/pull/492
* Update rich to <13.5.2 🤖 by dependabot in https://github.com/jacksund/simmate/pull/491
* add dj comments dep 💬 by jacksund in https://github.com/jacksund/simmate/pull/496
* Update pandas to <2.0.4 :robot: by dependabot in https://github.com/jacksund/simmate/pull/489
* fix page header name 🐛 by jacksund in https://github.com/jacksund/simmate/pull/497
* update data explorer ui 🌴 by jacksund in https://github.com/jacksund/simmate/pull/498
* add email timeouts ⌚ by jacksund in https://github.com/jacksund/simmate/pull/500
* disable email verification 📫 by jacksund in https://github.com/jacksund/simmate/pull/501
* fix filter tag getattr 🐛 by jacksund in https://github.com/jacksund/simmate/pull/502
* add db connect decorator 🔌 by jacksund in https://github.com/jacksund/simmate/pull/503
* update email configs 🎁 by jacksund in https://github.com/jacksund/simmate/pull/504
* add simple scheduler 📆 by jacksund in https://github.com/jacksund/simmate/pull/505
* add sdfdoodle template tag 🖊️ by jacksund in https://github.com/jacksund/simmate/pull/507
* Update plotly to <5.17.0 🤖 by dependabot in https://github.com/jacksund/simmate/pull/510
* Update mkdocs-material to <9.2.7 🤖 by dependabot in https://github.com/jacksund/simmate/pull/511
* Update coverage to <7.3.1 🤖 by dependabot in https://github.com/jacksund/simmate/pull/509
* Update pymatgen-analysis-diffusion to <=2023.8.15 🤖 by dependabot in https://github.com/jacksund/simmate/pull/508
* add workflow for web api calls🐯 by jacksund in https://github.com/jacksund/simmate/pull/512
* update dumpdata, web api, and utils 🧹 by jacksund in https://github.com/jacksund/simmate/pull/513
* optimize wf col updates 🐺 by jacksund in https://github.com/jacksund/simmate/pull/518
* Update django-unicorn to <=0.55.0 by dependabot in https://github.com/jacksund/simmate/pull/514
* Update pyyaml to <=6.0.1 :robot: by dependabot in https://github.com/jacksund/simmate/pull/515
* Update markdown to <=3.4.4 :robot: by dependabot in https://github.com/jacksund/simmate/pull/516
* Update cloudpickle to <=2.2.1 :robot: by dependabot in https://github.com/jacksund/simmate/pull/517
* limit web counted results 🔢 by jacksund in https://github.com/jacksund/simmate/pull/519
* add select2 utils 🎃 by jacksund in https://github.com/jacksund/simmate/pull/520
* add new req for allauth by jacksund in https://github.com/jacksund/simmate/pull/521
* move mol toolkit 🌽 by jacksund in https://github.com/jacksund/simmate/pull/523
* fix check-db util 🐞 by jacksund in https://github.com/jacksund/simmate/pull/534
* Update dask and pandas deps 🍏 by dependabot in https://github.com/jacksund/simmate/pull/524
* Update nest-asyncio to <1.5.9 🤖 by dependabot in https://github.com/jacksund/simmate/pull/525
* Update markdown to <=3.5.1 🤖 by dependabot in https://github.com/jacksund/simmate/pull/527
* Update pytest-django to <=4.6.0 🤖 by dependabot in https://github.com/jacksund/simmate/pull/526
* reset workflows app migrations 🪐 by jacksund in https://github.com/jacksund/simmate/pull/535
* pass tags in new-ind flows by jacksund in https://github.com/jacksund/simmate/pull/544
* add test suite guide & update prebuilt 📚 by jacksund in https://github.com/jacksund/simmate/pull/548
* add badelf and warren_lab apps :santa: by SWeav02 in https://github.com/jacksund/simmate/pull/547
* Update mp-api to >=0.26.3,<0.39.2 :robot: by dependabot in https://github.com/jacksund/simmate/pull/539
* Update cloudpickle to >=2.1.0,<=3.0.0 🤖 by dependabot in https://github.com/jacksund/simmate/pull/541
* Update mkdocs-material >=8.4.1,<9.4.15 🤖 by dependabot in https://github.com/jacksund/simmate/pull/540
* Update django to >=4.0.0,<4.2.8 🤖 by dependabot in https://github.com/jacksund/simmate/pull/538
* remove mamba references 🐍 by jacksund in https://github.com/jacksund/simmate/pull/551
* add materials project app 🦖 by jacksund in https://github.com/jacksund/simmate/pull/572
* Bump pygraphviz to 1.11 🤖 by dependabot in https://github.com/jacksund/simmate/pull/578
* Update black to >=22.1.0,<23.13.0 🤖 by dependabot in https://github.com/jacksund/simmate/pull/577
* Update pytest-django to >=4.5.2,<=4.7.0 🤖 by dependabot in https://github.com/jacksund/simmate/pull/576
* Update mkdocstrings to >=0.19.0,<=0.24.0 :robot: by dependabot in https://github.com/jacksund/simmate/pull/579
* add quantum espresso support :atom: by jacksund in https://github.com/jacksund/simmate/pull/571
* remove unused duplicated fxns 👮‍♂️ by jacksund in https://github.com/jacksund/simmate/pull/574
* remove badelf's copy of acf 🧝 by jacksund in https://github.com/jacksund/simmate/pull/573
* remove badelf cli 👋 by jacksund in https://github.com/jacksund/simmate/pull/575
* Add editable home view to website 🕸️ by jacksund in https://github.com/jacksund/simmate/pull/581
* prep v0.15.0 release 🚀 by jacksund in https://github.com/jacksund/simmate/pull/582
* patch release bugs 🐛 by jacksund in https://github.com/jacksund/simmate/pull/583


**Full Changelog**: https://github.com/jacksund/simmate/compare/v0.14.0...v0.15.0

What's Changed
* add django-unicorn 🦄 by jacksund in https://github.com/jacksund/simmate/pull/417
* fix digital ocean db bug 🦈 by jacksund in https://github.com/jacksund/simmate/pull/425
* Update pytest-xdist to <3.3.0 🤖 by dependabot in https://github.com/jacksund/simmate/pull/420
* Update dj-database-url to <1.4.0 🤖 by dependabot in https://github.com/jacksund/simmate/pull/423
* Update rich to <13.3.4 🤖 by dependabot in https://github.com/jacksund/simmate/pull/421
* Update pymatgen to <2023.3.24 🤖 by dependabot in https://github.com/jacksund/simmate/pull/422
* update web ui and docs 🕸️ by jacksund in https://github.com/jacksund/simmate/pull/429
* update examples table 😎 by becca9835 in https://github.com/jacksund/simmate/pull/438
* add example for series of workflows 🧶 by becca9835 in https://github.com/jacksund/simmate/pull/439
* update website ui 🍒 by jacksund in https://github.com/jacksund/simmate/pull/440
* Update django-allauth to <=0.54.0 🤖 by dependabot in https://github.com/jacksund/simmate/pull/434
* Update markdown to <=3.4.3 🤖 by dependabot in https://github.com/jacksund/simmate/pull/435
* Update mkdocstrings to <=0.21.2 🤖 by dependabot in https://github.com/jacksund/simmate/pull/436
* Update plotly to <5.15.0 🤖 by dependabot in https://github.com/jacksund/simmate/pull/437
* misc updates to ui and utils ✨ by jacksund in https://github.com/jacksund/simmate/pull/447
* fix vasp and evo search bugs by jacksund in https://github.com/jacksund/simmate/pull/453
* Update pymatgen to <2023.5.32 :robot: by dependabot in https://github.com/jacksund/simmate/pull/456
* Update dask to <2023.6.0 :robot: by dependabot in https://github.com/jacksund/simmate/pull/457
* Update pytest to <7.3.2 :robot: by dependabot in https://github.com/jacksund/simmate/pull/458
* Update pytest-xdist to <3.4.0 :robot: by dependabot in https://github.com/jacksund/simmate/pull/455
* Update frozen.py by becca9835 in https://github.com/jacksund/simmate/pull/460
* Update frozen.py by becca9835 in https://github.com/jacksund/simmate/pull/461
* minor fixes to archiving 📚 by jacksund in https://github.com/jacksund/simmate/pull/462
* update molecule web ui 🍅 by jacksund in https://github.com/jacksund/simmate/pull/467
* standardize prev dir use :eyes: by jacksund in https://github.com/jacksund/simmate/pull/466
* prep 0.14.0 release :bike: by jacksund in https://github.com/jacksund/simmate/pull/474

New Contributors
* becca9835 made their first contribution in https://github.com/jacksund/simmate/pull/438

**Full Changelog**: https://github.com/jacksund/simmate/compare/v0.13.2...v0.14.0

What's Changed
* fix pickling bug ⛏️ by jacksund in https://github.com/jacksund/simmate/pull/412
* refactor docs & web ui for data 🍓 by jacksund in https://github.com/jacksund/simmate/pull/413
* prep patch release :carrot: by jacksund in https://github.com/jacksund/simmate/pull/414


**Full Changelog**: https://github.com/jacksund/simmate/compare/v0.13.1...v0.13.2