Restore ValueError

pyiron · Aug 29, 2024 · 3451dd1 · 3451dd1
1 parent cf8927d
commit 3451dd1
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Showing 2 changed files with 3 additions and 9 deletions.
diff --git a/pyiron_atomistics/sphinx/base.py b/pyiron_atomistics/sphinx/base.py
@@ -1075,11 +1075,8 @@ def set_empty_states(self, n_empty_states=None):
             # will be converted later; see load_default_groups
             self.input["EmptyStates"] = "auto"
         else:
-            if n_empty_states < 0:
-                self.logger.warning(
-                        f"Number of empty states must be a positive integer, not {n_empty_states}! Setting to 1."
-                )
-                n_empty_states = 1
+            if n_empty_states <= 0:
+                raise ValueError(f"Number of empty states must be a positive integer, not {n_empty_states}!")
             self.input["EmptyStates"] = n_empty_states
         self.input.sphinx.PAWHamiltonian.nEmptyStates = self.input["EmptyStates"]
 

diff --git a/pyiron_atomistics/vasp/base.py b/pyiron_atomistics/vasp/base.py
@@ -1334,10 +1334,7 @@ def set_empty_states(self, n_empty_states=None):
         n_elect = self.get_nelect()
         if n_empty_states is not None:
             if n_empty_states <= 0:
-                self.logger.warning(
-                        f"Number of empty states must be a positive integer, not {n_empty_states}! Setting to 1."
-                )
-                n_empty_states = 1
+                raise ValueError(f"Number of empty states must be a positive integer, not {n_empty_states}!")
             self.input.incar["NBANDS"] = int(round(n_elect / 2)) + int(n_empty_states)
 
     def get_nelect(self):