PyPoscar API

This chapter is intended to describe pyposcar and the analysis of real-space features

PyPoscar has the following data types:

• pyprocar.pyposcar.Poscar low-level storage and manipulation of an input crystal structure POSCAR-like format.

• pyprocar.pyposcar.poscar_modify general utility to manipulate a crystal structure.

• Poscar
  • pyprocar.pyposcar.Poscar
• poscarUtils
  • pyprocar.pyposcar.poscar_modify
  • pyprocar.pyposcar.poscar_supercell
  • poscarDiff