modified on 9 August 2018 at 08:39 ••• 208,535 views

Release66:NWChem Documentation

From NWChem

Revision as of 08:39, 9 August 2018 by Edoapra (Talk | contribs)
Jump to: navigation, search



  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