modified on 20 May 2013 at 09:02 ••• 50,442 views

NWChem 6.2

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===Documentation===
===Documentation===
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* A complete list of the Gaussian basis sets and ECPs available in NWChem is now available in the [[Release62:AvailableBasisSets | basis set section]].
==Bug fixes==
==Bug fixes==

Revision as of 11:24, 7 May 2013

Contents

What's new in the NWChem development version

New functionality

High accuracy

Gaussian basis DFT & TDDFT

  • COSMO analytical gradients have been added

Plane-wave DFT and dynamics

Properties

Molecular Dynamics

Input

Other

  • Latest set of basis sets in the Basis Set Exchange have been added to the NWChem basis set library.

Documentation

  • A complete list of the Gaussian basis sets and ECPs available in NWChem is now available in the basis set section.

Bug fixes