Examples¶ The $AMSHOME/examples/gouda directory contains the following GOUDA regression examples. Molecular calculations¶ Example: Single-point calculation Example: Geometry optimization and restart Example: Normal modes of caffeine Example: Static polarizability Example: Excitation energies Example: PCM solvents Relativity and effective core potentials¶ Example: Effective core potential Example: Scalar-ZORA geometry optimization Example: Scalar-ZORA open-shell atom Example: AuH PES scan with a nonrelativistic ADF reference Example: Scalar-relativistic AuH PES scan
