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hema-ted committed Mar 2, 2020
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2 changes: 1 addition & 1 deletion README.md
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## **PyZFS** code repository

**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.

The tutorial and documentation are hosted on [Read the Docs](https://pyzfs-doc.readthedocs.io/en/latest/).

2 changes: 1 addition & 1 deletion setup.py
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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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