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Development documentation (dev:main) — content may differ from any release.
httk-io dev:main documentation
httk-io dev:main documentation

Documentation

  • Reading VASP POSCAR / CONTCAR files
  • Reading VASP output files
  • Reading and writing VASP WAVECAR files
  • OPTIMADE trajectory JSON Lines
  • Examples
    • Reading, inspecting and writing CIF files
    • Reading VASP POSCAR and CONTCAR files
    • Read a small synthetic VASP output directory.
  • Reference
    • httk.io
      • httk.io.cif
        • httk.io.cif.cif_parser
        • httk.io.cif.cif_reader
        • httk.io.cif.cif_tags
        • httk.io.cif.cif_writer
        • httk.io.cif.mcif_parser
      • httk.io.optimade_jsonl
      • httk.io.vasp
        • httk.io.vasp.oszicar
        • httk.io.vasp.outcar
        • httk.io.vasp.outputs
        • httk.io.vasp.poscar_reader
        • httk.io.vasp.poscar_writer
        • httk.io.vasp.potcar
        • httk.io.vasp.volumetric
        • httk.io.vasp.wavecar
        • httk.io.vasp.xdatcar
    • httk.registry.io.io
  • API Reference
    • httk.io
      • httk.io.cif
        • httk.io.cif.cif_parser
        • httk.io.cif.cif_reader
        • httk.io.cif.cif_tags
        • httk.io.cif.cif_writer
        • httk.io.cif.mcif_parser
      • httk.io.optimade_jsonl
      • httk.io.vasp
        • httk.io.vasp.oszicar
        • httk.io.vasp.outcar
        • httk.io.vasp.outputs
        • httk.io.vasp.poscar_reader
        • httk.io.vasp.poscar_writer
        • httk.io.vasp.potcar
        • httk.io.vasp.volumetric
        • httk.io.vasp.wavecar
        • httk.io.vasp.xdatcar
    • httk.registry.io.io
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Examples¶

Runnable scripts from the repository’s examples/ directory.

  • Reading, inspecting and writing CIF files
  • Reading VASP POSCAR and CONTCAR files
  • Read a small synthetic VASP output directory.
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Reading, inspecting and writing CIF files
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OPTIMADE trajectory JSON Lines
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