Small fixes

adc-connect · Nov 12, 2020 · 257eec6 · 257eec6
1 parent d836a88
commit 257eec6
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Showing 2 changed files with 5 additions and 5 deletions.
diff --git a/adcc/AdcMatrix.py b/adcc/AdcMatrix.py
@@ -368,7 +368,7 @@ def to_cpp(self):
     def compute_apply(self, block, in_vec, out_vec):
         self.innermatrix.compute_apply(block, in_vec, out_vec)
         if block[0] == block[1]:  # Diagonal block
-            out_vec = out_vec + self.shift * in_vec
+            out_vec += self.shift * in_vec
 
     def diagonal(self, block):
         out = self.innermatrix.diagonal(block)

diff --git a/adcc/test_workflow.py b/adcc/test_workflow.py
@@ -203,7 +203,7 @@ def test_diagonalise_adcmatrix(self):
         matrix = adcc.AdcMatrix("adc2", adcc.LazyMp(cache.refstate["h2o_sto3g"]))
 
         res = diagonalise_adcmatrix(matrix, n_states=3, kind="singlet",
-                                    solver_method="davidson")
+                                    eigensolver="davidson")
         ref_singlets = refdata["adc2"]["singlet"]["eigenvalues"]
         assert res.converged
         assert res.eigenvalues == approx(ref_singlets[:3])
@@ -217,16 +217,16 @@ def test_diagonalise_adcmatrix(self):
 
         with pytest.raises(InputError):  # Too low tolerance
             res = diagonalise_adcmatrix(matrix, n_states=9, kind="singlet",
-                                        solver_method="davidson",
+                                        eigensolver="davidson",
                                         conv_tol=1e-14)
 
         with pytest.raises(InputError):  # Wrong solver method
             res = diagonalise_adcmatrix(matrix, n_states=9, kind="singlet",
-                                        solver_method="blubber")
+                                        eigensolver="blubber")
 
         with pytest.raises(InputError):  # Too few guesses
             res = diagonalise_adcmatrix(matrix, n_states=9, kind="singlet",
-                                        solver_method="davidson",
+                                        eigensolver="davidson",
                                         guesses=guesses)
 
     def test_estimate_n_guesses(self):