From 5705e5d29c322b355a5edd02a8efc9ead100638c Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Tue, 18 Jul 2023 09:07:50 +0200 Subject: [PATCH] Update README.md --- README.md | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index 195dde2..496fe4e 100644 --- a/README.md +++ b/README.md @@ -28,7 +28,8 @@ You must also install [PySCF](https://pyscf.org) (for example using `pip`) pip install pyscf ``` -PySCF is used for the computation of one- and two-electron integrals (mainly). +PySCF is used for the computation of one- and two-electron integrals (mainly) which are dumped in files and read by QuAcK. +Therefore, it is very easy to use other software to compute the integrals or to add other types of integrals. # Quick start