Modules

Documenting key classes and functions in each module.

Here we document various classes and functions within each module, and provide minimal examples.


Command line interface

Overview of command line scripts in PM for developers.

Translation Group

The lattice is a central component of a crystal, and PM has a class for the infinite translation group (Lattice) and the finite translation group (LatticeFTG).

Symmetry

The symmetry module contains code related to point and space group symmetry.

Representation

Build representation of group and decompose into irreducible representations.

Finite Difference

This module sets up arbitrary order finite difference calculations for an arbitrary number of variables.


Last modified February 16, 2023: mention functions too (0006b54)