Overview

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edoapra edited this page Mar 3, 2022 · 24 revisions

#NWChem Overview

Introduction

Compiling NWChem

Getting Started

Top-level Directives

NWChem Architecture

Running NWChem

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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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