Published November 2, 2021
| Version 1.2.3
Software
Open
elcorto/pwtools:
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.
Files
elcorto/pwtools-1.2.3.zip
Files
(5.0 MB)
| Name | Size | Download all |
|---|---|---|
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md5:0e3c42b358125671b08e0779e170fd7c
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Additional details
Related works
- Is supplement to
- https://github.com/elcorto/pwtools/tree/1.2.3 (URL)