turbomoleio
1.6.0

User guide

  • The data group files
  • The coord file
  • Running define
  • Outputs parsing
  • Appendix

Developer guide

  • Contributing
  • Output logs parsing
  • Define runner
  • Testing
  • Versioning
  • Backward-compatibility

Additional information

  • License
  • Changelog
  • Reporting bugs
turbomoleio
  • Overview: module code

All modules for which code is available

  • turbomoleio.core.base
  • turbomoleio.core.control
  • turbomoleio.core.datagroups
  • turbomoleio.core.molecule
  • turbomoleio.core.periodic
  • turbomoleio.core.utils
  • turbomoleio.input.define
  • turbomoleio.input.templates
  • turbomoleio.input.utils
  • turbomoleio.output.data
  • turbomoleio.output.files
  • turbomoleio.output.parser
  • turbomoleio.output.states
  • turbomoleio.testing

© Copyright 2018-2024 BASF SE, Matgenix SRL.

Built with Sphinx using a theme provided by Read the Docs.