Within this chapter, we present step-by-step tutorials for different practical applications of ORBKIT.
Table of Contents:
- Tutorial for Atomic Population and Charge Analysis
- Tutorial for the Integration with Cubature
- Tutorial for Processing Multiple Input Files
- How to Read a List of Files
- How to Order the Molecular Orbital Coefficients
- How to Save and Read the Information Obtained to and from an HDF5-File
- How to Depict Several Molecular Orbitals
- How to Perform a Standard ORBKIT Computation for One Molecular Structures
- How to Process Data of Two or More dimensions
- Tutorial for Input Processing with cclib
This section is under construction. If you have any questions, do not hesitate to contact us.