Introducing MatFlow: Open-source Python Tool for Computational Materials Science
MatFlow is an open-source Python code designed for computational materials science, running on HPC systems like CSF at Manchester. Users specify tasks to run in a workflow, with the main output being a workflow HDF5 file. The tool aims to make reproducibility and transparency easier, connect dispara
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Troubleshooting Tips for MatFlow Users
Troubleshooting guide for MatFlow users, addressing common issues such as missing extensions/schemas, outdated packages, Bad YAML problems, and finding errors in Python loading. Includes solutions and steps to resolve these problems efficiently. Visual aids accompany each tip to assist users in reso
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