Fix test

sunqm · Dec 24, 2024 · b1a9815 · b1a9815
1 parent 413d7ef
commit b1a9815
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/pyscf/cc/test/test_gccsd.py b/pyscf/cc/test/test_gccsd.py
@@ -321,7 +321,7 @@ def ao2mofn(mos):
 
         e1 = numpy.einsum('ij,ji', hcore, dm1)
         e1+= numpy.einsum('ijkl,ijkl', eri, dm2) * .5
-        self.assertAlmostEqual(e1- mycc.e_tot, 6)
+        self.assertAlmostEqual(e1, mycc.e_tot, 6)
 
         self.assertAlmostEqual(abs(dm2-dm2.transpose(1,0,3,2).conj()).max(), 0, 9)
         self.assertAlmostEqual(abs(dm2-dm2.transpose(2,3,0,1)       ).max(), 0, 9)