fft-electronic-spin-density

Perform FFT on Gaussian .cube files of charge or spin density to obtain the (magnetic) form factor for neutron scattering.

Installation

In a virtualenv (see these instructions if you need to create one):

pip3 install fft-electronic-spin-density

Releases

Version Released Bullseye
Python 3.9
Bookworm
Python 3.11
Files
0.0.2 2025-03-31    
0.0.1 2025-03-27    

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Page last updated 2025-03-31 15:47:26 UTC