From 19168dd5736c6919eeaaeb945d6c52a99ba12c9e Mon Sep 17 00:00:00 2001 From: Qiming Sun Date: Thu, 26 Oct 2023 20:41:28 -0700 Subject: [PATCH] Fix adc tests --- pyscf/pbc/adc/test/test_k_vs_supercell_ea.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyscf/pbc/adc/test/test_k_vs_supercell_ea.py b/pyscf/pbc/adc/test/test_k_vs_supercell_ea.py index 3d755d287c..618a16cce3 100644 --- a/pyscf/pbc/adc/test/test_k_vs_supercell_ea.py +++ b/pyscf/pbc/adc/test/test_k_vs_supercell_ea.py @@ -60,7 +60,7 @@ def tearDownModule(): class KnownValues(unittest.TestCase): def test_ea_adc2_supercell(self): - e1,v1,p1,x1 = myadc.kernel(nroots=3) + e1,v1,p1,x1 = myadc.kernel(nroots=4) self.assertAlmostEqual(e1[1], 0.83425538, 6) self.assertAlmostEqual(e1[3], 1.29595017, 6)