From 515b0f7a54b684d8af088dbd934414768715875e Mon Sep 17 00:00:00 2001 From: mahe Date: Mon, 2 Mar 2020 14:49:12 -0600 Subject: [PATCH] version 1.0 --- README.md | 2 +- setup.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index 91cbe76..ad292d2 100644 --- a/README.md +++ b/README.md @@ -1,6 +1,6 @@ ## **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/). diff --git a/setup.py b/setup.py index 8f9e476..e35ce22 100644 --- a/setup.py +++ b/setup.py @@ -2,7 +2,7 @@ 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="mahe@uchicago.edu, mgovoni@anl.gov, gagalli@uchicago.edu", description="A python code to compute zero-field splitting tensors",