spintools

spintools is a Python package for application of electric-magnetic field to materials with quantum chemical calculations.

Features

• Application of electro-magnetic field to materials with quantum chemical calculations
  • See Eq.1 of https://arxiv.org/abs/2410.02518

Usages

See test.py

Installation

conda create -n spintools python=3.9
conda activate spintools
git clone https://github.com/nkitamuraQC/spintools.git
cd spintools
pip install -e .