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## **PyZFS** code repository | ||
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**PyZFS** a Python package for first-principles calculations of the spin-spin zero-field-splitting (ZFS) tensor based on wavefunctions obtained from density functional theory (DFT) calculations. | ||
**PyZFS** is a Python package for first-principles calculations of the zero-field-splitting (ZFS) tensor of molecules and materials based on wavefunctions obtained from density functional theory (DFT) calculations. | ||
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The tutorial and documentation are hosted on [Read the Docs](https://pyzfs-doc.readthedocs.io/en/latest/). | ||
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setup( | ||
name="pyzfs", | ||
version="dev", # set as dev for development commits | ||
version="1.0", # set as dev for development commits | ||
author="He Ma, Marco Govoni, Giulia Galli", | ||
author_email="[email protected], [email protected], [email protected]", | ||
description="A python code to compute zero-field splitting tensors", | ||
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