pwtools
pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS.
Installation
To install this package, run one of the following:
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Description
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.
About
Summary
pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS.
Last Updated
Mar 1, 2025 at 21:06
License
BSD-3-Clause
Total Downloads
188.1K
Supported Platforms
macOS-64
linux-64
GitHub Repository
https://github.com/elcorto/pwtoolsDocumentation
http://elcorto.github.io/pwtools