pre-commit

grimme-lab · Jan 17, 2025 · 8494ba9 · 8494ba9
1 parent 7ab2873
commit 8494ba9
Showing 1 changed file with 7 additions and 3 deletions.
diff --git a/src/mindlessgen/generator/main.py b/src/mindlessgen/generator/main.py
@@ -96,11 +96,15 @@ def generator(config: ConfigManager) -> tuple[list[Molecule], int]:
     exitcode = 0
     optimized_molecules: list[Molecule] = []
 
-    # Assert that parallel configuration is valid 
+    # Assert that parallel configuration is valid
     if num_cores < config.refine.ncores:
-        raise RuntimeError(f"Number of cores ({num_cores}) is too low to run refinement using {config.refine.ncores}.")
+        raise RuntimeError(
+            f"Number of cores ({num_cores}) is too low to run refinement using {config.refine.ncores}."
+        )
     if config.general.postprocess and num_cores < config.postprocess.ncores:
-        raise RuntimeError(f"Number of cores ({num_cores}) is too low to run post-processing using {config.postprocess.ncores}.")
+        raise RuntimeError(
+            f"Number of cores ({num_cores}) is too low to run post-processing using {config.postprocess.ncores}."
+        )
 
     # Initialize parallel blocks here
     blocks = setup_blocks(