modified on 20 May 2013 at 10:02 ••• 46,620 views

NWChem 6.2

From NWChem

(Difference between revisions)
Jump to: navigation, search
(Gaussian basis DFT & TDDFT)
(Gaussian basis DFT & TDDFT)
Line 8: Line 8:
=== Gaussian basis DFT & TDDFT ===
=== Gaussian basis DFT & TDDFT ===
-
* Added COSMO analytical gradients
+
* COSMO analytical gradients have been added
===Plane-wave DFT and dynamics===
===Plane-wave DFT and dynamics===

Revision as of 12:22, 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