v0.3.6

[ilyes319]

What's Changed

• bugfix for stress loss by @JPDarby in bugfix for stress loss #438
• change stress normalization + setup.cfg with numpy<2.0 by @ilyes319 in change stress normalization + setup.cfg with numpy<2.0 #467
• fix universal loss stress by default by @ilyes319 in fix universal loss stress by default #472
• Support for schedulefree optimizer by @RokasEl in Support for schedulefree optimizer #477
• Add Command-Line Argument for Specifying Wandb Directory by @nqhq-lou in Add Command-Line Argument for Specifying Wandb Directory #466
• Add DOI badge and automated release by @ElliottKasoar in Add DOI badge and automated release #404
• Merge latest develop by @ilyes319 in Merge latest develop #480
• remove DOI from badge by @ilyes319 in remove DOI from badge #482
• add finetuning to readme TOC by @ilyes319 in add finetuning to readme TOC #485
• add support for hessian in calculator by @ilyes319 in add support for hessian in calculator #486
• prepare the model for hessian by @ilyes319 in prepare the model for hessian #490
• BUG: Single atoms not isolated incorrectly removed from training set by @jameskermode in BUG: Single atoms not isolated incorrectly removed from training set #492
• Fix bug with isolated atoms by @ilyes319 in Fix bug with isolated atoms #493
• correct pbc extension by @ilyes319 in correct pbc extension #506
• change dynamo to optional by @ilyes319 in change dynamo to optional #510
• Simplify installation steps by @vue1999 in Simplify installation steps #514
• Develop by @ilyes319 in Develop #515
• remove Literal for python >3.9 by @ilyes319 in remove Literal for python >3.9 #516

New Contributors

• @JPDarby made their first contribution in bugfix for stress loss #438
• @nqhq-lou made their first contribution in Add Command-Line Argument for Specifying Wandb Directory #466
• @ElliottKasoar made their first contribution in Add DOI badge and automated release #404
• @jameskermode made their first contribution in BUG: Single atoms not isolated incorrectly removed from training set #492

Full Changelog: v0.3.5...v0.3.6

---

This discussion was created from the release v0.3.6.