NWChem User Documentation¶

• Overview

• System Description

• Quantum Mechanical Methods

• Quantum Molecular Dynamics

• Molecular Mechanics

• Hybrid Approaches

• Potential Energy Surface Analysis

• Electronic Structure Analysis

• Other Capabilities

• Examples

• Supplementary Information

• Compiling NWChem

• Developer

• Benchmarks

• Containers

• FAQ

• Known Bugs

• Citation