modified on 9 August 2018 at 09:43 ••• 149,229 views

Release66:NWChem Documentation

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(NWChem 6.6 User Documentation)
(NWChem 6.6 User Documentation)
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__NOTITLE__
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=NWChem 6.6 User Documentation=
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The most up to date documentation can be found on Github at the following url
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https://github.com/nwchemgit/nwchem/wiki
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=NWChem 6.6 User Documentation ('''OBSOLETE''') =
A PDF version of the [http://www.nwchem-sw.org/download.php?f=NWChem6.6_Documentation.pdf Documentation pages is available.]
A PDF version of the [http://www.nwchem-sw.org/download.php?f=NWChem6.6_Documentation.pdf Documentation pages is available.]

Revision as of 15:26, 12 April 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