NWCHEM(1)

💖 NAME 💖

okay so bestie, this is nwchem(1) — from the User Commands zone of the manual — and it's high-performance computational chemistry software. periodt.

✨ SYNOPSIS ✨

nwchem input_file

🌸 DESCRIPTION 🌸

ngl, nwchem provides many methods for computing the properties of molecular and periodic systems using standard quantum mechanical descriptions of the electronic wavefunction or density. literally iconic.

its classical molecular dynamics capabilities? obsessed. they provide for the simulation of macromolecules and solutions, including the computation of free energies using a variety of force fields. no cap.

and the way these approaches may be combined to perform mixed quantum-mechanics and molecular-mechanics simulations? chef's kiss. 💅

🎀 OPTIONS 🎀

bestie, There are no command line options to use. that's it. zero flags. nothing to memorise. slay.

🦋 SEE ALSO 🦋

There is a comprehensive online manual at https://nwchemgit.github.io. go read it iykyk. 🌈

👑 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. periodt, and we love that for them. 🫶

and that's the tea: this page is nwchem, dated 2012/06/11, and it lives in NWCHEM(1). bye bestie 💖✨