pytest

block-hczhai · Jul 9, 2024 · 4490ade · 4490ade
1 parent 2309de3
commit 4490ade
Showing 1 changed file with 6 additions and 6 deletions.
diff --git 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()