From d4b5406dd55cb16b5af80a89b317a479808fae39 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Sun, 30 Jul 2023 22:19:43 +0200 Subject: [PATCH] Update README.md --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index cd22f22..5d0ab96 100644 --- a/README.md +++ b/README.md @@ -117,7 +117,7 @@ For example, if you want to run a calculation on water using the cc-pvdz basis s QuAcK 💩 % python PyDuck.py -x water -b cc-pvdz ``` -QuAcK runs calculations in its own directory which is quite unusual but it can be easily modified to run calculations elsewhere. +QuAcK runs calculations in the `QUACK_ROOT` directory which is quite unusual but it can be easily modified to run calculations elsewhere. You just have to make sure that QuAcK reads/writes the integrals and molecular information at the right spot.