matflow-new 0.3.0a78

Computational workflows for materials science

Design, run, and share computational materials science workflows

Documentation: https://docs.matflow.io/

Feature parity with the old code

This is a list tracking which workflows we have reimplemented/tested in the new code.

Symbol	Meaning
✅	Tested and functional
❓	Untested but should in principle work; may need tweaks to the template parametrisation
❌	Requires a missing core feature in hpcflow, or a missing software integration

Old workflow	Status	Docs	Notes
tension_DAMASK_Al	✅	Link	Available as a demo workflow
tension_DAMASK_Mg	❓	-	Needs reformatting; and checking hex slip systems

Acknowledgements

MatFlow was developed using funding from the LightForm EPSRC programme grant (EP/R001715/1)