==================================== Welcome to the pwtools documentation ==================================== ``pwtools`` is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to `Quantum Espresso `_, CPMD_, CP2K_ and LAMMPS_. It is almost, but not quite, entirely unlike ASE_, with some tools extending numpy_/scipy_. It has a set of powerful parsers and data types for storing calculation data. See the :ref:`feature overview ` for more. .. To be generated by sphinx-autodoc.py or some other API documentation tool. If generated/ or parts of it doesn't exist, it will simply be ignored. .. toctree:: :maxdepth: 1 generated/api/index .. Written docs. .. toctree:: :maxdepth: 2 written/index .. include:: written/refs.rst