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edoapra edited this page Dec 13, 2022 · 2 revisions

NWChem manual in PDF format

Manual in PDF format

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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

FAQ

Known Bugs

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