From 04c22e86cd8ca8d3306b1ca90b426eeb7deb19b3 Mon Sep 17 00:00:00 2001 From: Steve Plimpton Date: Mon, 13 Feb 2023 11:16:56 -0700 Subject: [PATCH] disable PySCF support for independent MDI coupling for now --- examples/QUANTUM/PySCF/pyscf_mdi.py | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/examples/QUANTUM/PySCF/pyscf_mdi.py b/examples/QUANTUM/PySCF/pyscf_mdi.py index caa4504e52..f9e4213543 100644 --- a/examples/QUANTUM/PySCF/pyscf_mdi.py +++ b/examples/QUANTUM/PySCF/pyscf_mdi.py @@ -638,6 +638,11 @@ if __name__== "__main__": if not mdi_option: error("PySCF -mdi option not provided") + # disable this mode of MDI coupling for now + # until issue on PySCF side is fixed + + error("PySCF does not currently support running as independent executable") + # call MDI_Init with just -mdi option mdi.MDI_Init(mdi_option)