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Releases: pyiron/pyiron_contrib

pyiron_contrib-0.1.18

02 Aug 14:56
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Full Changelog: pyiron_contrib-0.1.17...pyiron_contrib-0.1.18

pyiron_contrib-0.1.17

05 Jun 12:51
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Use pyiron_snippets

Features

Version Bumps

Full Changelog: pyiron_contrib-0.1.16...pyiron_contrib-0.1.17

pyiron_contrib-0.1.16

28 Mar 16:30
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This released moved all machine learning potential related job classes pyiron_potentialfit. Existing projects maybe converted by using the Project maintenance methods implemented in pyiron_base. Beware that this can take a significant amount of time when converting a large number of jobs. You can speed this up a lot by specifying which job type to look for when calling the maintenance functions. For example to update all Mlip jobs you may call

pr = Project(...)
pr.maintenance.local.update_hdf_types(hamilton='Mlip')

What's Changed

Full Changelog: pyiron_contrib-0.1.15...pyiron_contrib-0.1.16

pyiron_contrib-0.1.15

16 Feb 17:27
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A plethora of dependency updates

What's Changed

Full Changelog: pyiron_contrib-0.1.14...pyiron_contrib-0.1.15

pyiron_contrib-0.1.14

03 Feb 15:36
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Full Changelog: pyiron_contrib-0.1.13...pyiron_contrib-0.1.14

pyiron_contrib-0.1.12

03 Aug 07:22
1f99d24
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Full Changelog: pyiron_contrib-0.1.11...pyiron_contrib-0.1.12

pyiron_contrib-0.1.11

01 Aug 11:07
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Full Changelog: pyiron_contrib-0.1.10...pyiron_contrib-0.1.11

pyiron_contrib-0.1.8

21 Mar 08:22
69eee71
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New Contributors

Full Changelog: pyiron_contrib-0.1.6...pyiron_contrib-0.1.8

pyiron_contrib-0.1.6

21 Dec 13:12
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Dependency Updates

New Contributors

Full Changelog: pyiron_contrib-0.1.5...pyiron_contrib-0.1.6

pyiron_contrib-0.1.5

26 Jul 11:19
555078a
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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

Full Changelog: pyiron_contrib-0.1.4...pyiron_contrib-0.1.5