Bug Fixes on Simfiles Directory and Config File

2023-05-11 00:19:28 -03:00
parent f22ad97e4a
commit 6b8848e9c2
5 changed files with 20 additions and 11 deletions
--- a/tests/shared/config/test_config.py
+++ b/tests/shared/config/test_config.py
@@ -53,3 +53,12 @@ class TestConfig(unittest.TestCase):
                level="b3lyp/aug-cc-pVDZ",
                n_atoms=0
            )
+
+    def test_set_charge_tolerance(self):
+        config = Config(
+            mem=1,
+            level="b3lyp/aug-cc-pVDZ",
+            n_atoms=10,
+            charge_tolerance=0.001
+        )
+        self.assertEqual(config.charge_tolerance, 0.001)