pyiron_workflow_lammps-0.0.4

What's Changed

• Notebooks by @ligerzero-ai in #23
• Add grain boundary segregation notebook and implement new function nodes for vacancy calculations by @ligerzero-ai in #25

Full Changelog: pyiron_workflow_atomistics-0.0.2...pyiron_workflow_atomistics-0.0.4

pyiron_workflow_lammps-0.0.3

What's Changed

• Notebooks by @ligerzero-ai in #23
• Add grain boundary segregation notebook and implement new function nodes for vacancy calculations by @ligerzero-ai in #25

Full Changelog: pyiron_workflow_atomistics-0.0.2...pyiron_workflow_atomistics-0.0.3

pyiron_workflow_lammps-0.0.2

Merge pull request #21 from pyiron/tests

Correct dependency name for pyiron-workflow in pyproject.toml

pyiron_workflow_atomistics-0.0.1

alpha release

Base and basic functionality is included for some atomistic workflows.

Example notebooks coming in later releases

v0.0.1-alpha

First alpha release - no tests