Computational workflows for materials science
Project description
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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