Including one more special case

pyiron · Aug 24, 2020 · 9977e56 · 9977e56
1 parent 32c23e5
commit 9977e56
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Showing 3 changed files with 7 additions and 1 deletion.
diff --git a/pyiron/vasp/base.py b/pyiron/vasp/base.py
@@ -2277,6 +2277,10 @@ def load_default(self):
     def _bool_str_to_bool(self, val):
         val = super(Incar, self)._bool_str_to_bool(val)
         extra_bool = {True: "T", False: "F"}
+        for key, value in extra_bool.items():
+            if val == value:
+                return key
+        extra_bool = {True: ".True.", False: ".False."}
         for key, value in extra_bool.items():
             if val == value:
                 return key

diff --git a/tests/static/vasp_test_files/incar_samples/INCAR_1 b/tests/static/vasp_test_files/incar_samples/INCAR_1
@@ -9,4 +9,5 @@ MAGMOM = "0.6 0.7 0.8"
 POTIM = 0.5
 ! IALGO = 20
 LORBIT=F
-LCORE=T
+LCORE=T
+LTEST=.False.
diff --git a/tests/vasp/test_vasp_import.py b/tests/vasp/test_vasp_import.py
@@ -49,6 +49,7 @@ def test_incar_import(self):
         self.assertFalse(ham.input.incar["LVHAR"])
         self.assertFalse(ham.input.incar["LORBIT"])
         self.assertTrue(ham.input.incar["LCORE"])
+        self.assertFalse(ham.input.incar["LTEST"])
         self.assertEqual(ham.input.incar["POTIM"], 0.5)