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LAMMPyS

LAMMPyS is a python library to manage the outputs of LAMMPS calculations.

Introduction

LAMMPyS acts as support tools for LAMMPS users to manage the outputs from LAMMPS calculations. MDtools makes it more convinient to extract uesful data or calculat some function that LAMMPS didn't supply or I didn't find from LAMMPS results. You are welcome to debug, optmize MDtools and add new functions to it.

Dependent packages

  • numpy  
  • scipy
  • pandas

Installation

LAMMPyS is developed on Python3 (Ubuntu) and is recommended to be used on Python3. It should be tested before you use it on Python2.

You can install it easily via pip

$ pip install LAMMPyS

Or via clone and install

$ git clone https://github.com/permissionx/LAMMPyS.git  
$ cd LAMMPyS
$ python setup.py install

Usage