pyiron_contrib-0.1.6
pmrv
released this
21 Dec 13:12
·
2214 commits
to main
since this release
What's Changed
- Derive from StructurePlots from atomistics by @pmrv in #472
- Added MeamFit code to pyiron_contrib by @usaikia in #376
- TrainingContainer: Check for empty pressures by @pmrv in #500
- create folder by @samwaseda in #536
- Bond lattice mean-field model by @raynol-dsouza in #539
- TrainingContainer: Save to hdf after get_neighbors by @pmrv in #544
- atomicrex file names by @Leimeroth in #443
- First draft of cp2k interface by @jan-janssen in #286
- Mlip: Raise error when accessing potential on unfinished job by @pmrv in #499
Dependency Updates
- Bump numpy from 1.23.5 to 1.24.0 by @dependabot in #547
- Bump pyiron-atomistics from 0.2.60 to 0.2.61 by @dependabot in #545
- Bump boto3 from 1.26.22 to 1.26.27 by @dependabot in #546
- Bump boto3 from 1.26.27 to 1.26.32 by @dependabot in #548
- Bump moto from 4.0.11 to 4.0.12 by @dependabot in #549
- Update branch referenced by @liamhuber in #543
- Bump matplotlib from 3.6.1 to 3.6.2 by @dependabot in #527
- Bump boto3 from 1.24.96 to 1.26.22 by @dependabot in #541
- Bump numpy from 1.23.4 to 1.23.5 by @dependabot in #532
- Bump moto from 4.0.8 to 4.0.11 by @dependabot in #540
- Bump seaborn from 0.12.0 to 0.12.1 by @dependabot in #519
- Bump pyiron-base from 0.5.26 to 0.5.30 by @dependabot in #542
- Bump pyiron-atomistics from 0.2.58 to 0.2.60 by @dependabot in #533
- Bump boto3 from 1.24.75 to 1.24.80 by @dependabot in #502
- Bump moto from 4.0.3 to 4.0.5 by @dependabot in #501
- Bump pyiron-base from 0.5.23 to 0.5.24 by @dependabot in #506
- Bump pyiron-atomistics from 0.2.56 to 0.2.57 by @dependabot in #503
- Bump moto from 4.0.5 to 4.0.6 by @dependabot in #505
- Bump boto3 from 1.24.80 to 1.24.84 by @dependabot in #504
- Bump moto from 4.0.6 to 4.0.7 by @dependabot in #508
- Bump pyiron-base from 0.5.24 to 0.5.25 by @dependabot in #511
- Bump boto3 from 1.24.85 to 1.24.89 by @dependabot in #509
- Bump matplotlib from 3.6.0 to 3.6.1 by @dependabot in #510
- Bump boto3 from 1.24.89 to 1.24.91 by @dependabot in #513
- Bump pyiron-base from 0.5.25 to 0.5.26 by @dependabot in #516
- Bump pyiron-atomistics from 0.2.57 to 0.2.58 by @dependabot in #514
- Bump numpy from 1.23.3 to 1.23.4 by @dependabot in #515
- Bump scipy from 1.9.1 to 1.9.2 by @dependabot in #512
- Bump moto from 4.0.7 to 4.0.8 by @dependabot in #518
- Bump scipy from 1.9.2 to 1.9.3 by @dependabot in #520
- Bump boto3 from 1.24.91 to 1.24.96 by @dependabot in #517
- Bump pyiron-base from 0.5.22 to 0.5.23 by @dependabot in #491
- Bump pyiron-atomistics from 0.2.54 to 0.2.55 by @dependabot in #494
- Bump seaborn from 0.11.2 to 0.12.0 by @dependabot in #492
- Bump boto3 from 1.24.66 to 1.24.70 by @dependabot in #490
- Bump numpy from 1.23.2 to 1.23.3 by @dependabot in #489
- Bump moto from 4.0.2 to 4.0.3 by @dependabot in #493
- Bump boto3 from 1.24.70 to 1.24.75 by @dependabot in #498
- Bump matplotlib from 3.5.3 to 3.6.0 by @dependabot in #496
- Bump pyiron-atomistics from 0.2.55 to 0.2.56 by @dependabot in #497
- Bump moto from 4.0.0 to 4.0.1 by @dependabot in #484
- Bump boto3 from 1.24.56 to 1.24.61 by @dependabot in #483
- Bump scipy from 1.9.0 to 1.9.1 by @dependabot in #485
- Bump moto from 4.0.1 to 4.0.2 by @dependabot in #487
- Bump boto3 from 1.24.61 to 1.24.66 by @dependabot in #486
- Bump scipy from 1.8.1 to 1.9.0 by @dependabot in #466
- Bump boto3 from 1.24.36 to 1.24.46 by @dependabot in #468
- Bump pyiron-base from 0.5.19 to 0.5.20 by @dependabot in #469
- Bump moto from 3.1.16 to 3.1.17 by @dependabot in #471
- Bump pyiron-atomistics from 0.2.51 to 0.2.52 by @dependabot in #470
- Bump boto3 from 1.24.46 to 1.24.51 by @dependabot in #478
- Bump pyiron-base from 0.5.20 to 0.5.21 by @dependabot in #476
- Bump moto from 3.1.17 to 3.1.18 by @dependabot in #473
- Bump pyiron-base from 0.5.21 to 0.5.22 by @dependabot in #479
- Bump boto3 from 1.24.51 to 1.24.56 by @dependabot in #481
- Bump numpy from 1.23.1 to 1.23.2 by @dependabot in #474
- Bump moto from 3.1.18 to 4.0.0 by @dependabot in #480
- Bump pyiron-atomistics from 0.2.52 to 0.2.54 by @dependabot in #482
- Bump matplotlib from 3.5.2 to 3.5.3 by @dependabot in #477
New Contributors
Full Changelog: pyiron_contrib-0.1.5...pyiron_contrib-0.1.6