From 4490ade79800d315a6e90eacf2fb44e69a7f03c0 Mon Sep 17 00:00:00 2001 From: Huanchen Zhai Date: Tue, 9 Jul 2024 02:55:15 -0700 Subject: [PATCH] pytest --- pyblock2/unit_test/dmrg.py | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/pyblock2/unit_test/dmrg.py b/pyblock2/unit_test/dmrg.py index f1fb8d90..a3654f6f 100644 --- a/pyblock2/unit_test/dmrg.py +++ b/pyblock2/unit_test/dmrg.py @@ -225,13 +225,13 @@ def test_ghf(self, tmp_path, system_def, symm_type): iprint=1, ) if name == "N2": - assert abs(energies[0] - -107.654122447523) < 1e-6 - assert abs(energies[1] - -107.031449471625) < 1e-6 - assert abs(energies[2] - -107.031449471625) < 1e-6 + assert abs(energies[0] - -107.654122447523) < 1e-5 + assert abs(energies[1] - -107.031449471625) < 1e-5 + assert abs(energies[2] - -107.031449471625) < 1e-5 elif name == "C2": # may stuck in local minima - assert abs(energies[0] - -75.552895292344) < 1e-6 - assert abs(energies[1] - -75.536490899999) < 1e-6 - assert abs(energies[2] - -75.536490899999) < 1e-6 + assert abs(energies[0] - -75.552895292344) < 1e-5 + assert abs(energies[1] - -75.536490899999) < 1e-5 + assert abs(energies[2] - -75.536490899999) < 1e-5 driver.finalize()