Programming: Using the Core Libraries

• LibOptions: globals, locals, has_changed and all that
  • Declaring Options
  • What is has_changed ?
  • Reading Options in Module
  • Handling Options in Driver
• Adding Methods to Driver
  • proc.py
  • Managed Methods
• Linear Algebra in PSI4
  • How to call BLAS & LAPACK in PSI4
    • BLAS Wrappers
    • Important BLAS Routines
    • LAPACK Wrappers
    • Important Lapack Routines
  • How to use low-level BLAS/LAPACK with psi4.core.Matrix
  • How to name orbital bases (e.g., AO & SO)
  • How to name orbital dimensions
  • How to name orbital spaces (e.g., docc)
    • Multireference Dimensions
• Adding Test Cases