Organization of the Package

This python package is organized using some best practice suggestions on the internet. I cannot even begin to provide the amount of references, but I will provide some attribution where possible. This documentation will be replicated on my personal website, www.materialsexmachina.com and in the Sphinx documentation, but until that time this site will be my source of documentation of this package.

This project is hosted at GitHub at https://github.com/eragasa/pypospack. The structure of this project is organized in the following way as recommended by [1], with some modifications

• pypospack/ - this is the folder which contains all the information
  • README
  • LICENSE. This is the standard MIT license.
  • requirements.txt
  • setup.py
  • pypospack/
  • examples/ - some cookbook recipes
  • docs/ - documentation done in sphinx using napoleon
    • source/ - documentation
    • build/html/ - the HTML autogenerated documentation.
  • test/
    • test_unit/
    • test_acceptance_serial
    • test_acceptance_serial_lammps
    • test_acceptance_mpi
    • test_acceptance_mpi_vasp

References:

[1] John Klint. "Python Project Howto." Accessed August 9, 2017. http://infinitemonkeycorps.net/docs/pph/