fromage
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General

  • 1. Program overview and install
  • 2. Essential glossary
  • 3. Tutorial for geometry optimisation
  • 4. License
  • 5. Contact
  • 6. References

Theoretical background

  • 1. ONIOM cluster models
  • 2. Ewald point charge fitting
  • 3. Minimal Energy Conical Intersection optimisation
  • 4. Population analysis

Program documentation

  • 1. Interfaces
  • 2. Input file description
  • 3. Structure manipulation in fromage
  • 4. Miscellaneous scripts
  • 5. fromage
fromage
  • Docs »
  • Overview: module code

All modules for which code is available

  • fromage.utils.exci_coupling.CATC
  • fromage.utils.exci_coupling.diabatize
  • fromage.utils.exci_coupling.elements
  • fromage.utils.exci_coupling.read_g09
  • fromage.utils.exci_coupling.xyz
  • fromage.utils.per_table

© Copyright 2016-2019, Miguel Rivera, Michael Dommett, Rachel Crespo-Otero Revision 9b4a8069.

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