modified on 20 May 2013 at 09:02 ••• 50,056 views

NWChem 6.2

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(Gaussian basis DFT & TDDFT)
(Other)
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===Other===
===Other===
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* Latest set of basis sets in the [https://bse.pnl.gov/bse/portal Basis Set Exchange] have been added to the NWChem basis set library.
===Documentation===
===Documentation===
==Bug fixes==
==Bug fixes==

Revision as of 11:23, 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

Bug fixes