Welcome to fft_electronic_spin_density!#
The fft_electronic_spin_density Python package performs fast Fourier transform (FFT) on Gaussian .cube files of charge or spin density, primarily to obtain the (magnetic) form factor for neutron scattering.
See the project on GitHub.
Quick start#
pip install fft_electronic_spin_density
then
git clone https://github.com/liborsold/fft_electronic_spin_density.git
and execute the ./examples/example_of_use.ipynb Jupyter notebook in the examples folder.
See also the Examples page.
Citation#
If you find this package useful, please cite L. Spitz, L. Vojáček, et al., under preparation.