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costrouc / packages / lammps-cython v0.5.8

Python Wrapper for LAMMPS

Installers

  • linux-64 vv0.5.8

conda install

To install this package run one of the following:
conda install costrouc::lammps-cython

Description

A high-performance cython wrapper around LAMMPS. Lammps is a great molecular dynamics package that has an unmatched set of potentials and fixes. This package offers unique features such as minimizing I/O by allowing direct access to thermostats and atom properties and allowing interactive lammps within python interpreters such a ipython. The goal of this project is to put an opinionated wrapper around LAMMPS (the good parts) and allow the user to easily extend it's functionality in python. The api should feel very similar to HOOMD and is being actively developed.


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