Releases: jacksund/simmate
Releases · jacksund/simmate
Simmate 0.11.1
What's Changed
Full Changelog: v0.11.0...v0.11.1
Contributors
jacksund
Assets 2
Simmate 0.11.0
What's Changed
- 🍎 condense api filter functionality by @jacksund in #263
- 🌰 allow dynamic archive_fields by @jacksund in #265
- 🌷 allow toml input files by @jacksund in #268
- 🐞 fix
exploreto accept calc name by @jacksund in #269 - 🦍 update binary search outputs by @jacksund in #270
- 🔥 refactor outputs and database saves by @jacksund in #271
- 🍰 update custom flow runs by @jacksund in #273
- 🖌️ add plotting base classes by @jacksund in #275
- 🕸️ update website by @jacksund in #276
- 🍎 update custom app guides by @jacksund in #277
- ☀️ update evolutionary searches by @jacksund in #278
- 🍇 move to app-based calculators by @jacksund in #279
- 🥁 misc evo search updates by @jacksund in #280
- ⛵ update docs and minor fixes by @jacksund in #281
- ♻️ prep release by @jacksund in #282
Full Changelog: v0.10.0...v0.11.0
Contributors
jacksund
Assets 2
Simmate 0.10.0
What's Changed
- 💡 update release notes by @jacksund in #228
- 🕷️ update dependencies by @jacksund in #230
- ❄️ fix pytest on windows by @jacksund in #231
- 🐳 update digitalocean and docker builds by @jacksund in #232
- 🎷 add base NEB workflows by @jacksund in #234
- 🌈 switch to typer and rich by @jacksund in #236
- 📚 update docs for all parameters by @jacksund in #238
- 🏈 add symmetry reduction features by @jacksund in #239
- Update 06_Build_custom_workflows.md by @laurenmm in #241
- 📚 fix typos by @jacksund in #242
- 🦈 refactor transform and add extreme sym by @jacksund in #240
- 🦋 condense workitem and fix minor bugs by @jacksund in #245
- Tutorials update 🍞 by @laurenmm in #243
- 💥 add variable composition searches by @jacksund in #246
- ✨ switch api docs to mkdocs by @jacksund in #247
- 🐦 fix broken links to new docs by @jacksund in #249
- 🧰 drop tqdm dep by @jacksund in #250
- 🌹 update workflow docs and allow custom yaml by @jacksund in #253
- 🏆 update matproj data by @jacksund in #252
- 🐝 fix resource busy and write_summary errors by @jacksund in #257
- 🎺 fix neb bugs by @jacksund in #258
- 📚 update docs and main readme by @jacksund in #259
- 🌱 add binary search by @jacksund in #260
- 👍 prep release by @jacksund in #261
Full Changelog: v0.9.0...v0.10.0
Contributors
jacksund and laurenmm
Assets 2
Simmate 0.9.0
What's Changed
- 🐺 update evolutionary search using feedback by @jacksund in #222
- 🐚 add output files to evo search by @jacksund in #223
- 💥 add isort and update docs by @jacksund in #224
- 💎 add experimental steady-states by @jacksund in #225
- ⚡ prep release and minor fixes by @jacksund in #226
- 🪲 quick bug fix with run_cloud source by @jacksund in #227
Full Changelog: v0.8.0...v0.9.0
Contributors
jacksund
Assets 2
Simmate 0.8.0
What's Changed
- 🍋 continue adding MP workflows by @jacksund in #209
- 🥭 condense boilerplate required for s3 workflows by @jacksund in #210
- 🍒 allow compressed test files by @jacksund in #211
- 📚 switch os.path use to pathlib.Path by @jacksund in #212
- 🍌 add default executor and isolate prefect by @jacksund in #213
- 🌳 add logging by @jacksund in #214
- 🐟 update evo search default executor by @jacksund in #215
- 💫 update custom workflow guides by @jacksund in #216
- 🏀 the ceiling is the roof by @jacksund in #217
- 🛡️ upgrade setuptools and pin max deps by @jacksund in #218
- 🌅 prep 0.8.0 release by @jacksund in #219
Full Changelog: v0.7.3...v0.8.0
Contributors
jacksund
Assets 2
Simmate 0.7.3
Contributors
jacksund
Assets 2
Simmate 0.7.2
Contributors
jacksund
Assets 2
Simmate 0.7.1
Contributors
jacksund
Assets 2
Simmate 0.7.0
What's Changed
- 📚 add installation guide for vasp by @jacksund in #183
- 🎇 add utilities for loading remote archives by @jacksund in #184
- 🐟 update to prefect 2.0 by @jacksund in #185
- 🪐 add full vasp unittest by @jacksund in #186
- 🦍 refactor evo search alg by @jacksund in #188
- 📚 update docs and unittests by @jacksund in #189
⚠️ add warning for disk space requirement by @jacksund in #193- 🌱 add start-worker to cli by @jacksund in #190
- 🍇 prep release by @jacksund in #195
Full Changelog: v0.6.0...v0.7.0
Contributors
jacksund
Assets 2
Simmate 0.6.0
What's Changed
- condense parameter serialization by @jacksund in #173
- add electronic and badelf workflows by @jacksund in #174
- 🧙 exclude incomplete calcs by @jacksund in #177
- 🙈 refactors for evo search alg by @jacksund in #179
- 🐛 fix import of blender util by @jacksund in #181
- 🌈 prep release by @jacksund in #182
Full Changelog: v0.5.0...v0.6.0
Contributors
jacksund