NAME

       nwchem - high-performance computational chemistry software

SYNOPSIS

       nwchem input_file

DESCRIPTION

       nwchem  provides  many  methods  for  computing  the  properties of molecular and periodic
       systems using standard quantum mechanical descriptions of the electronic  wavefunction  or
       density.  Its  classical  molecular  dynamics  capabilities  provide for the simulation of
       macromolecules and solutions, including the computation of free energies using  a  variety
       of  force  fields. These approaches may be combined to perform mixed quantum-mechanics and
       molecular-mechanics simulations.

OPTIONS

       There are no command line options to use.

SEE ALSO

       There is a comprehensive online manual at https://nwchemgit.github.io.

AUTHORS

       This manual page was written by Daniel Leidert  <daniel.leidert@wgdd.de>  for  the  Debian
       GNU/Linux distribution but may be used by others as well.