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Computational workflows for materials science

Project description

MatFlow logo

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)

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