xcauto

xcauto: Arbitrary order exchange-correlation functional derivatives using JAX.

Installation

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

pip3 install xcauto

Releases

Version Released Buster
Python 3.7
Bullseye
Python 3.9
Bookworm
Python 3.11
Files
0.2.0 2020-07-12    
0.1.0 2020-07-06    

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Page last updated 2023-10-28 01:37:04 UTC