Skip to main content

A LAMMPS wrapper using pymatgen

Project description

Lammps Wrapper

Latest Release latest release
latest release
License license
Build Status travis ci pipeline status

This is a package that I wrote to write input files for LAMMPS and analyze them because I was not happy with the one built inside of pymatgen. It has built in calculators for running many lammps calculations in parallel (many short small LAMMPS calculations).

Now that I have put some serious effort into my cython wrapper to LAMMPS. I would recommend it instead. You get significantly better performance and LAMMPS is now built into the python process. lammps-cython.

Project details

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Files for pymatgen-lammps, version 0.5.1
Filename, size File type Python version Upload date Hashes
Filename, size pymatgen-lammps-0.5.1.tar.gz (19.5 kB) File type Source Python version None Upload date Hashes View

Supported by

AWS AWS Cloud computing Datadog Datadog Monitoring DigiCert DigiCert EV certificate Facebook / Instagram Facebook / Instagram PSF Sponsor Fastly Fastly CDN Google Google Object Storage and Download Analytics Microsoft Microsoft PSF Sponsor Pingdom Pingdom Monitoring Salesforce Salesforce PSF Sponsor Sentry Sentry Error logging StatusPage StatusPage Status page