A LAMMPS wrapper using pymatgen

Navigation

Verified details

These details have been verified by PyPI
Maintainers
Avatar for costrouc from gravatar.com costrouc

Unverified details

These details have not been verified by PyPI
Project links
Meta
Classifiers
Report project as malware

Project description

Lammps Wrapper

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.

Supported by

AWS Cloud computing and Security Sponsor Datadog Monitoring Fastly CDN Google Download Analytics Pingdom Monitoring Sentry Error logging StatusPage Status page