Merge pull request #14 from BoothGroup/comp_fix

Revert test values change
BoothGroup · Aug 7, 2023 · 660f23a · 660f23a
2 parents a9845a7 + 4113b54
commit 660f23a
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Showing 2 changed files with 6 additions and 7 deletions.
diff --git a/momentGW/ints.py b/momentGW/ints.py
@@ -64,7 +64,6 @@ def get_compression_metric(self):
         Return the compression metric.
         """
         # TODO cache this if needed
-        return None
 
         compression = self.compression.replace("vo", "ov")
         compression = set(x for x in compression.split(","))

diff --git a/tests/test_scgw.py b/tests/test_scgw.py
@@ -79,8 +79,8 @@ def _test_regression(self, xc, kwargs, nmom_max, ip, ea, name=""):
         self.assertAlmostEqual(gw.gf.get_virtual().energy[0], ea, 7, msg=name)
 
     def test_regression_simple(self):
-        ip = -0.281519393467
-        ea = 0.005957163934
+        ip = -0.284272286382
+        ea = 0.006112609950
         self._test_regression("hf", dict(), 1, ip, ea, "simple")
 
     def test_regression_gw0(self):
@@ -89,13 +89,13 @@ def test_regression_gw0(self):
         self._test_regression("hf", dict(w0=True), 3, ip, ea, "gw0")
 
     def test_regression_g0w(self):
-        ip = -0.279847875711
-        ea = 0.005920076111
+        ip = -0.281972676272
+        ea = 0.006097777589
         self._test_regression("hf", dict(g0=True, damping=0.5), 1, ip, ea, "g0w")
 
     def test_regression_pbe_fock_loop(self):
-        ip = -0.286584356813
-        ea = 0.006248912698
+        ip = -0.288061231008
+        ea = 0.006223662638
         self._test_regression("pbe", dict(fock_loop=True), 1, ip, ea, "pbe fock loop")