xcquinox

Contents:

  • 1. Getting Started
  • 2. Example
  • 3. Network Structure
  • 4. The XC Functional Network
  • 5. Utility Structures and Functions
  • 6. Training Classes
  • 7. Loss Computation Classes
  • 8. PySCF(AD) Interface
xcquinox
  • Overview: module code

All modules for which code is available

  • xcquinox.loss
  • xcquinox.net
  • xcquinox.pyscf
  • xcquinox.train
  • xcquinox.utils
  • xcquinox.xc

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