From fa9370a4d41a27616e22ce52a8d2aa7283961c01 Mon Sep 17 00:00:00 2001 From: Heejune Park Date: Wed, 27 Nov 2024 11:38:38 -0800 Subject: [PATCH] CFOUR is added to the supported QC codes in README.md --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index 8f573f08..5d6be871 100644 --- a/README.md +++ b/README.md @@ -8,7 +8,7 @@ This is a geometry optimization code for molecular structures. The code works by calling external software for the energy and gradient through wrapper functions. Q-Chem, TeraChem, Psi4, -Molpro, and Gaussian 09/16 are supported quantum chemistry +Molpro, Gaussian 09/16, and CFOUR are supported quantum chemistry codes through the command line interface. The PySCF and QCArchive packages also provide interfaces to geomeTRIC for optimization. MM optimizations using OpenMM and Gromacs are