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Python module to parse and manipulate NEMO 3D data.

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NemoData

A Python module with utility functions to parse and manipulate data generated with NEMO 3D. Specifically, it can directly read the binary outputs (.nd_evec_*, .nd_wf_*, .nd_rAtom_*, etc.), hence saving the time of converting binary to ASCII and reading ASCII into memory (which is binary).

This was written in 2023 and used throughout my Master of Science (Physics) project at the University of Melbourne.

Usage

The file nemodata.py can be put under the same directory with the code that uses it, or in the site-packages folder of the active Python distribution. It can then be imported like any other Python module.

import nemodata as nd

I personally use the alias nd for this module.

Dependency

The module depends on numpy.

The examples use matplotlib additionally to generate plots.

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Python module to parse and manipulate NEMO 3D data.

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