PySCF Modules

This is an in-depth look at all of the user-facing classes and functions in Nexus that relate to PySCF.

The PySCF utilities are split across 3 modules:

• pyscf_sim

• pyscf_input

• pyscf_analyzer

• PySCF Input
  • render_string
  • render_array
  • PyscfInput
  • generate_pyscf_input
• PySCF
  • Pyscf
  • generate_pyscf
• PySCF Analyzer
  • PyscfAnalyzer