NWChem is a massively parallel software package with a wide array of computational chemistry functionality, for both QM, QM/MM calculations.

Category:  Chemistry

Availability: Open access for all academic users

Usage Notes

Show the software versions:  module avail nwchem

Loading the module will set the path and any necessary variables:  module load nwchem/version

The environmental variable $NWCHEM_HOME will be defined.