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.