.. _core-api-index:

Core API
===================================

This chapter is intended to describe data types that are used to assist in the processing of the electronic structure

PyProcar has the following data types:

- :class:`pyprocar.core.BrillouinZone` is used to generates the Brillouin Zone from reciprocal lattice matrix. 

- :class:`pyprocar.core.FermiSurface3D` is used to store the informtation of a 3D Fermi Surface. 
   This includes the interpolated kpoints, isosurface, and scalar value This class is an extension of the general :class:`pyprocar.core.Isosurface` 

- :class:`pyprocar.core.Isosurface` is used to generate an isosurface for an isovalue from a numpy array of coordinate points and a a 1d numpy array of scalar values. 
   This class is an extension of the :class:`pyprocar.core.Surface` class.

- :class:`pyprocar.core.Surface` is used to generate a surface from vertices and faces. 
   This class is an extension of the :class:`pyvista.PolyData` class

- :class:`pyprocar.core.KPath` is used to store the k-path information (tick_labels,tick_positions,n_segements,kdistances) for band structure plots

- :class:`pyprocar.core.ElectronicBandStructure` is used to store and manipulate electronic band structure information. 
   Electronic band structures expects kpoints, band values, fermi energy, projections, phase projections, kpath, weights, and reciprocal lattice.

- :class:`pyprocar.core.DensityOfStates` is used to store and manipulate density of states information. 
   Density of states 1d numpy array of energy, (n_energy,n_spin) total densities and projections at each energy.

- :class:`pyprocar.core.FermiSurface` is used to help plot the 2d fermi surface at a given plane.
   Fermi Surface expects numpy array of k points, band energies, and projections.

- :class:`pyprocar.core.Structure` is used to store structure information. 
   Expects a list of atomic symbols, numpy array of fraction coordinates of the atoms, and the atomic lattice matrix.


.. toctree::
   :maxdepth: 2
   
   brillouin_zone
   dos
   ebs
   fermi2d
   fermi3d
   isosurface
   kpath
   structure
   surface