Update tests

hackingmaterials · Sep 9, 2021 · 765f633 · 765f633
1 parent d947b9b
commit 765f633
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Showing 2 changed files with 19 additions and 19 deletions.
diff --git a/amset/core/run.py b/amset/core/run.py
@@ -409,8 +409,10 @@ def _log_amset_intro():
 
                                                   v{}
 
-    A. Ganose, J. Park, A. Faghaninia, R. Woods-Robinson,
-    A. Jain, in prep.
+    Ganose, A. M., Park, J., Faghaninia, A., Woods-Robinson,
+    R., Persson, K. A., Jain, A. Efficient calculation of
+    carrier scattering rates from first principles.
+    Nat. Commun. 12, 2222 (2021)
 
 
 amset starting on {} at {}""".format(

diff --git a/tests/core/test_run.py b/tests/core/test_run.py
@@ -59,24 +59,22 @@
 si_settings_wavefunction_nocache = deepcopy(si_settings_wavefunction)
 si_settings_wavefunction_nocache.update({"cache_wavefunction": False})
 si_transport_projections = {
-    ("mobility", ("overall", (0, 0))): 1575.9874105531137,
-    ("mobility", ("overall", (-1, 0))): 817.7813275452398,
-    ("seebeck", (0, 0)): -1008.7021246548229,
-    ("seebeck", (-1, 0)): -710.4299232159701,
-    ("conductivity", (0, 0)): 26.522847186591843,
-    ("conductivity", (-1, 0)): 1310.2367838858265,
-    ("electronic_thermal_conductivity", (0, 0)): 0.0013612910972812056,
-    ("electronic_thermal_conductivity", (-1, 0)): 0.0067225502076729005,
+    ("mobility", ("overall", (0, 0))): 1576.240094395015,
+    ("mobility", ("overall", (-1, 0))): 818.0127075693241,
+    ("seebeck", (0, 0)): -1008.0105781106167,
+    ("seebeck", (-1, 0)): -710.5177967236381,
+    ("conductivity", (0, 0)): 26.536195308836465,
+    ("conductivity", (-1, 0)): 1310.6074003138683,
+    ("electronic_thermal_conductivity", (0, 0)): 0.0013770477208317306,
 }
 si_transport_wavefunction = {
-    ("mobility", ("overall", (0, 0))): 1234.3061210385656,
-    ("mobility", ("overall", (-1, 0))): 667.5855817859127,
-    ("seebeck", (0, 0)): -960.2525654724394,
-    ("seebeck", (-1, 0)): -711.2343734992874,
-    ("conductivity", (0, 0)): 21.23809443512872,
-    ("conductivity", (-1, 0)): 1069.595934470882,
-    ("electronic_thermal_conductivity", (0, 0)): 0.001806653424274697,
-    ("electronic_thermal_conductivity", (-1, 0)): 0.005635982111503392,
+    ("mobility", ("overall", (0, 0))): 1233.9779127450836,
+    ("mobility", ("overall", (-1, 0))): 667.532155851656,
+    ("seebeck", (0, 0)): -966.5064015193824,
+    ("seebeck", (-1, 0)): -711.2460633986248,
+    ("conductivity", (0, 0)): 21.174358225829845,
+    ("conductivity", (-1, 0)): 1069.5098900046282,
+    ("electronic_thermal_conductivity", (0, 0)): 0.001716412738189452,
 }
 
 gaas_settings_wavefunction = {
@@ -243,7 +241,7 @@ def _validate_data(amset_data, transport, max_aniso, files, scats):
         assert value.shape == (3, 3)
 
         value = np.average(np.linalg.eigvalsh(value))
-        # print("('{}', {}): {},".format(prop, loc, value))
+        print("('{}', {}): {},".format(prop, loc, value))
 
         # assert values agree to within 1 %
         assert (