Public Repository

Last pushed: a year ago
Short Description
This image contains only the gaussian DFT module of the NWChem computational chemistry software
Full Description

Dockerfile at

Based on earlier work by Vladimir Konjkov

This container contains small executable containing just the gaussian DFT module.

You can run DFT NWChem input files executing the command

docker run -v [host_system_dir]:/data edoapra/nwchem-dev.dftquick "input.nw"


docker run -v /home/edo/nwchem/tests:/data edoapra/nwchem-dev.dftquick xvdw.nw

Docker Pull Command