From NWChem

Contents 1 What's new in the NWChem development version 1.1 New functionality 1.1.1 High accuracy 1.1.2 Gaussian basis DFT & TDDFT 1.1.3 Plane-wave DFT and dynamics 1.1.4 Properties 1.1.5 Molecular Dynamics 1.1.6 Input 1.1.7 Other 1.1.8 Documentation 1.2 Bug fixes

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