modified on 20 May 2013 at 09:02 ••• 50,179 views

NWChem 6.2

From NWChem

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(Gaussian basis DFT & TDDFT)
(Gaussian basis DFT & TDDFT)
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=== Gaussian basis DFT & TDDFT ===
=== Gaussian basis DFT & TDDFT ===
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* Added COSMO analytical gradients
+
* COSMO analytical gradients have been added
===Plane-wave DFT and dynamics===
===Plane-wave DFT and dynamics===

Revision as of 11:22, 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

Documentation

Bug fixes