.. CONQUEST2a documentation master file, created by sphinx-quickstart on Fri Apr 10 23:04:44 2026. You can adapt this file completely to your liking, but it should at least contain the root `toctree` directive. .. Add your content using ``reStructuredText`` syntax. See the .. `reStructuredText `_ .. documentation for details. CONQUEST2a: post-processing utilities for CONQUEST ================================================== CONQUEST2a (C2a) is a collection of modules providing various post-processing utilities for `CONQUEST `__. It aims to be simple and flexible, requiring minimal dependencies on CONQUEST-specific input/output files. C2a is currently able to process and plot (partial) density of states, bandstructures, charge densities; convert from CONQUEST coordinates to other file formats; calculate nearest neighbours, planar and dihedral angles; create and write supercells; extract stresses, forces, bandgaps from output. This library operates independently of CONQUEST's ASE interface, which is documented here: https://conquest.readthedocs.io/en/latest/ase-conquest.html. This library does not manage CONQUEST and only serves to analyse output from runs. .. :maxdepth: 2 .. :caption: Contents: .. :glob: Reference ---------- * :doc:`src/types` * :doc:`src/conquest` * :doc:`src/pdos` * :doc:`src/supercell` * :doc:`src/chden` * :doc:`src/writers` * :doc:`src/roadmap` .. toctree:: :maxdepth: 1 :hidden: :caption: Reference src/types src/conquest src/pdos src/supercell src/chden src/writers src/roadmap Contributing ------------ - Please take a look at the `GitHub page`_ for the source code. - Suggest features, or report bugs on the `GitHub issues`_. Your feedback and help is greatly appreciated! .. _GitHub issues: https://github.com/chpxu/CONQUEST_TO_VASP/issues .. _GitHub page: https://github.com/chpxu/CONQUEST_TO_VASP Licence ------- CONQUEST2a is available freely under the MIT Licence.