qmatsuite-assets

Repository containing curated pseudopotential libraries and metadata for QMatSuite.

Contents

• pseudo_seed/: Curated pseudopotential archives and metadata files
  • SSSP (Standard Solid-State Pseudopotentials)
  • PseudoDojo collections (ONCVPSP and PAW)
  • GIPAW pseudopotentials
  • SCAN TM pseudopotentials

Index Files

• MANIFEST_PSEUDO_SEED.json: Archive-level manifest with SHA256 checksums and metadata
• PSEUDO_FILE_INDEX.json: Normalized per-UPF file index (SHA256-keyed, deduplicated)

Documentation

See DOC_PSEUDO_SEED.md for detailed documentation on:

• Library contents and naming conventions
• How to regenerate manifests and indices
• File verification and usage examples

Scripts

• scripts/build_manifest_pseudo_seed.py: Generate archive manifest
• scripts/build_pseudo_file_index.py: Generate normalized UPF file index

License

See COPYRIGHT_AND_DISCLAIMER.md for attribution and legal notices.