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 (LightForm-group/matflow)
This is a list tracking which workflows/tasks we have reimplemented/tested in the new code.
Symbol | Meaning |
---|---|
✅ | Tested and functional (may be undocumented) |
❓ | 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 |
- | Will not be reimplemented (e.g. superseded by another) |
Demo workflows
Workflow | Status | Notes |
---|---|---|
tension_DAMASK_Al | ✅ | Available as a demo workflow (tension_DAMASK_Al) |
tension_DAMASK_Mg | ✅ | Available as a demo workflow (tension_DAMASK_Mg) |
single_crystal_parameter_fitting | ✅ | Available as a demo workflow (fit_single_crystal_parameters) |
Dream3D_RVE_simulation | ❌ | Requires generate_volume_element/from_statistics/Dream3D |
fit_yield_function | ✅ | Available as as a demo workflow |
Task schemas
Acknowledgements
MatFlow was developed using funding from the LightForm EPSRC programme grant (EP/R001715/1)
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