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Release66:NWChem Documentation

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<pre style="color: red"> = The most up to date documentation can be found on Github at the following url =</pre>
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Revision as of 09:23, 9 August 2018



 = The most up to date documentation can be found on Github at the following url =

https://github.com/nwchemgit/nwchem/wiki

NWChem 6.6 User Documentation (OBSOLETE)

A PDF version of the Documentation pages is available.

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