coolvib package

coolvib is set up in a way that all routines and tools can be used independently from each other, but there are also convenience functions, which help to perform certain tasks such as calculating lifetimes or the friction tensor.

Convenience functions - coolvib.convenience

• coolvib.convenience package
  • Module contents
  • workflow_tensor class
  • workflow_mode class

Main Routines - coolvib.routines

• coolvib.routines package
  • Submodules
  • coolvib.routines.friction_tensor module
  • coolvib.routines.output module
  • coolvib.routines.spectral_function module
  • Module contents

Routines for parsing from quantum chemistry packages - coolvib.parser

• coolvib.parser package
  • Module contents
  • Submodules
    • coolvib.parser.aims module
    • coolvib.parser.siesta module
    • coolvib.parser.castep module

Tools and Scrips - coolvib.tools

• coolvib.tools package
  • Module contents
  • Submodules
  • coolvib.tools.fhiaims_add_outputoptions_to_control module
  • coolvib.tools.integrate_tensor module
  • coolvib.tools.integrate_tensor_along_dir module
  • coolvib.tools.integrate_plot_spectral_function module
  • coolvib.tools.spectrum module

Constants - coolvib.constants