pyiron_contrib-0.1.5
What's Changed
- Do not fail job when potential parser fails by @pmrv in #435
- Only add forces and stress arrays to TrainingContainer if defined for at least one structure by @pmrv in #434
- Allow to remove job in TrainingContainer.sample by @pmrv in #424
- MLIP: Check array correctly by @pmrv in #449
- Add Docs workflow by @niklassiemer in #448
- Use private names for storages in PotentialPlots by @pmrv in #455
- Import only from pyiron_base directly by @jan-janssen in #459
- missing / by @Leimeroth in #430
Dependency Updates
- rename to i by @dependabot in #426
- Bump moto from 3.1.11 to 3.1.12 by @dependabot in #427
- Bump boto3 from 1.24.2 to 1.24.7 by @dependabot in #431
- Bump moto from 3.1.12 to 3.1.13 by @dependabot in #432
- Bump boto3 from 1.24.7 to 1.24.12 by @dependabot in #436
- Bump moto from 3.1.13 to 3.1.14 by @dependabot in #437
- Bump scikit-image from 0.19.2 to 0.19.3 by @dependabot in #433
- Bump pyiron-base from 0.5.13 to 0.5.14 by @dependabot in #442
- Bump moto from 3.1.14 to 3.1.15 by @dependabot in #440
- Bump pyiron-atomistics from 0.2.47 to 0.2.48 by @dependabot in #441
- Bump boto3 from 1.24.12 to 1.24.17 by @dependabot in #439
- Bump numpy from 1.22.4 to 1.23.0 by @dependabot in #438
- Bump boto3 from 1.24.17 to 1.24.22 by @dependabot in #446
- Bump pyiron-base from 0.5.14 to 0.5.15 by @dependabot in #445
- Bump moto from 3.1.15 to 3.1.16 by @dependabot in #444
- Bump numpy from 1.23.0 to 1.23.1 by @dependabot in #454
- Bump boto3 from 1.24.22 to 1.24.26 by @dependabot in #451
- Bump pyiron-base from 0.5.15 to 0.5.16 by @dependabot in #453
- Bump pyiron-atomistics from 0.2.48 to 0.2.49 by @dependabot in #452
- Bump pyiron-base from 0.5.16 to 0.5.17 by @dependabot in #458
- Bump boto3 from 1.24.26 to 1.24.31 by @dependabot in #457
- Bump pyiron-atomistics from 0.2.49 to 0.2.50 by @dependabot in #456
- Update pyiron_atomistics by @jan-janssen in #460
- Bump boto3 from 1.24.31 to 1.24.36 by @dependabot in #461
Full Changelog: pyiron_contrib-0.1.4...pyiron_contrib-0.1.5