In this chapter, the features and options for calculating grid-based quantities are provided. Detailed tutorials for the three variants of executing ORBKIT, i.e., as a standalone program via the Terminal (Usage via the Terminal), with a Python script setting options and calling the main function of ORBKIT (ORBKIT’s High-Level Interface), or with a user-written Python program using the built-in functions of ORBKIT (ORBKIT’s Low-Level Interface), are provided here.
Table of Contents:
- Usage via the Terminal
- ORBKIT’s High-Level Interface
- ORBKIT’s Low-Level Interface