modified on 26 October 2018 at 09:58 ••• 207,408 views

Release66:NWChem Documentation

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<pre style="color: red" style="font-weight:bold">  The most up to date documentation can be found on Github at the following url  
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<pre style="font-weight:bold;font-size:200%;color:red">  WARNING: The most up to date documentation can be found on Github at the following url  
  https://github.com/nwchemgit/nwchem/wiki </pre>
  https://github.com/nwchemgit/nwchem/wiki </pre>

Revision as of 08:39, 9 August 2018



  WARNING: 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