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Release66:NWChem Documentation

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

NWChem 6.6 User Documentation (OBSOLETE)

A PDF version of the Documentation pages is available.


System Description

Quantum Mechanical Methods

Quantum Molecular Dynamics

Molecular Mechanics

Hybrid Approaches

Potential Energy Surface Analysis

Electronic Structure Analysis

Other Capabilities


Supplementary Information