Update tests

sunqm · Oct 16, 2023 · 1ecb43c · 1ecb43c
1 parent 8e2f729
commit 1ecb43c
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Showing 2 changed files with 6 additions and 6 deletions.
diff --git a/pyscf/pbc/tdscf/test/test_rks.py b/pyscf/pbc/tdscf/test/test_rks.py
@@ -58,11 +58,11 @@ def kernel(self, TD, ref, **kwargs):
         self.assertAlmostEqual(abs(td.e[:self.nstates_test] * unitev  - ref).max(), 0, 4)
 
     def test_tda_singlet(self):
-        ref = [9.2625251659, 9.2625251659]
+        ref = [9.26752544, 9.26752544]
         self.kernel('TDA', ref)
 
     def test_tda_triplet(self):
-        ref = [4.8364248190, 4.8364248190]
+        ref = [4.79532598, 4.79532598]
         self.kernel('TDA', ref, singlet=False)
 
     def test_tddft_singlet(self):
@@ -226,11 +226,11 @@ def kernel(self, TD, ref, **kwargs):
         self.assertAlmostEqual(abs(td.e[:self.nstates_test] * unitev  - ref).max(), 0, 4)
 
     def test_tda_singlet(self):
-        ref = [9.6202884134, 9.6202884134]
+        ref = [9.61243337, 9.61243337]
         self.kernel('TDA', ref)
 
     def test_tda_triplet(self):
-        ref = [5.1659937745, 5.1659937745]
+        ref = [5.13034084, 5.13034084]
         self.kernel('TDA', ref, singlet=False)
 
     def test_tddft_singlet(self):

diff --git a/pyscf/pbc/tdscf/test/test_uks.py b/pyscf/pbc/tdscf/test/test_uks.py
@@ -59,7 +59,7 @@ def kernel(self, TD, ref, **kwargs):
         self.assertAlmostEqual(abs(td.e[:self.nstates_test] * unitev  - ref).max(), 0, 4)
 
     def test_tda(self):
-        ref = [4.8137763755, 4.8137763755]
+        ref = [4.77090949, 4.77090949]
         self.kernel('TDA', ref)
 
     def test_tdhf(self):
@@ -161,7 +161,7 @@ def kernel(self, TD, ref, **kwargs):
         self.assertAlmostEqual(abs(td.e[:self.nstates_test] * unitev  - ref).max(), 0, 4)
 
     def test_tda(self):
-        ref = [5.1435121896, 5.1435121896]
+        ref = [5.1069789, 5.10697989]
         self.kernel('TDA', ref)
 
     def test_tdhf(self):