From 588f72f1b2ab4944ca8a611a95e720c7c21e9b70 Mon Sep 17 00:00:00 2001 From: "xiaojie.wu" Date: Thu, 8 Feb 2024 14:41:42 +0800 Subject: [PATCH] mispell e_disp --- gpu4pyscf/scf/uhf.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/gpu4pyscf/scf/uhf.py b/gpu4pyscf/scf/uhf.py index 919251e5..744186bb 100644 --- a/gpu4pyscf/scf/uhf.py +++ b/gpu4pyscf/scf/uhf.py @@ -109,7 +109,7 @@ def get_fock(mf, h1e=None, s1e=None, vhf=None, dm=None, cycle=-1, diis=None, class UHF(uhf.UHF): from gpu4pyscf.lib.utils import to_cpu, to_gpu, device - _keys = {'e_dips', 'screen_tol', 'conv_tol_cpscf'} + _keys = {'e_disp', 'screen_tol', 'conv_tol_cpscf'} screen_tol = 1e-14 conv_tol_cpscf = 1e-3