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postprocessing

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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.

  • Updated May 6, 2022
  • Python

SciDataTool is an open-source Python package for scientific data handling. The objective is to provide a user-friendly, unified, flexible module to postprocess any kind of signal. It is meant to be used by researchers, R&D engineers and teachers in any scientific area. This package allows to efficiently store data fields in the time/space or in the frequency domain, to easily perform Fourier Transforms, to extract slices, to convert units, to compare several fields, etc. It therefore leads to simplified plot commands.

  • Updated Jun 1, 2022
  • Jupyter Notebook

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