Computational workflows for materials science
Project description
MatFlow
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- | Will not be reimplemented (e.g. superseded by another) |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 development is funded by UKAEA, and was initially developed using funding from the LightForm EPSRC programme grant (EP/R001715/1).
Project details
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
matflow_new-0.3.0a123.tar.gz
(54.1 kB
view hashes)
Built Distribution
Close
Hashes for matflow_new-0.3.0a123-py3-none-any.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 062322c52e55c866d5c40bba11ac169ccb2fa556598010f97ba5d45b004a2273 |
|
MD5 | cf0c4b43b4a92206265ac9fe619d3aab |
|
BLAKE2b-256 | 7b27b847039faeb9872f082d33e9fd8c93509a2633c366aa94bca7028efb804f |