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title: NWChem User Documentation summary: Main index page for the NWChem's User Documentation some_url: https://nwchemgit.github.io

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

Known Bugs

FAQ

NWChem Tutorials

Interfaces with External Software

Software supporting NWChem

Containers

Citation