modified on 12 October 2012 at 12:40 ••• 46,581 views

NWChem 6.2

From NWChem

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Contents

What's new in the NWChem development version

New functionality

High accuracy

Gaussian basis DFT & TDDFT

  • Added COSMO analytical gradients

Plane-wave DFT and dynamics

Properties

Molecular Dynamics

Input

Other

Documentation

Bug fixes