pyiron_potentialfit-0.3.3

What's Changed

Features

• Add MTP tutorial notebook by @pmrv in #73
• SpgFit: Add flag to allow POSCAR export by @pmrv in #82
• TrainingPlots: Add axis labels to energy_distance by @pmrv in #93
• Make iterative create_structure_set clearer by @pmrv in #96
• Rewrite CLI/Vasp configuration by @pmrv in #98
• Write and return default mlip.ini in potential_files by @pmrv in #110
• Fix some issues with potential plotting functions and add new ones by @pmrv in #113
• Add simple run function and use in notebook by @pmrv in #116

Fixes

• fix yaml load issues by @srmnitc in #77
• SpgFit: Fix error metrics by @pmrv in #81
• Decrease default no of cores in notebook by @pmrv in #84
• import from snippets by @Leimeroth in #90
• Fix typos by @pmrv in #97
• fix get_table update bug by @pmrv in #112
• Add mlip citation by @pmrv in #117

Bumps

• Bump pyiron-atomistics from 0.5.2 to 0.5.4 by @dependabot in #75
• Bump pyiron-base from 0.8.2 to 0.8.3 by @dependabot in #76
• Bump pyiron-base from 0.8.3 to 0.8.4 by @dependabot in #78
• Bump scipy from 1.13.0 to 1.13.1 by @dependabot in #86
• Bump ase from 3.22.1 to 3.23.0 by @dependabot in #89
• Bump pyiron-atomistics from 0.5.4 to 0.6.1 by @dependabot in #92
• Bump pyiron-base from 0.8.4 to 0.9.1 by @dependabot in #91
• Bump pyiron-base from 0.9.1 to 0.9.4 by @dependabot in #101
• Bump pyiron-atomistics from 0.6.1 to 0.6.2 by @dependabot in #99
• Bump pyiron-base from 0.9.4 to 0.9.5 by @dependabot in #106
• Bump pyiron-atomistics from 0.6.2 to 0.6.3 by @dependabot in #104
• Bump pyiron-base from 0.9.5 to 0.9.6 by @dependabot in #109
• Bump scipy from 1.13.1 to 1.14.0 by @dependabot in #105
• Bump pyiron-atomistics from 0.6.3 to 0.6.4 by @dependabot in #114

New Contributors

• @srmnitc made their first contribution in #77

Full Changelog: pyiron_potentialfit-0.3.2...pyiron_potentialfit-0.3.3