GOUDA Manual 2026.1

GOUDA (GPU-Oriented Ultrafast DFT for AMS) is a GPU-accelerated electronic structure engine for molecular calculations. The current implementation uses the cuEST library to evaluate Hartree–Fock and density functional theory (DFT) energies and properties on NVIDIA GPUs.

Table of Contents:

• General
• Input

• Examples
• Keywords
• KF output files

• Index