Fix writing xyz files

ElliottKasoar · Feb 25, 2025 · 6f0b9df · 6f0b9df
1 parent 74f037c
commit 6f0b9df
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/janus_core/helpers/struct_io.py b/janus_core/helpers/struct_io.py
@@ -280,7 +280,7 @@ def output_structs(
         )
 
         # write_results is only a valid kwarg for extxyz
-        if write_format in ("extxyz"):
+        if write_format == "extxyz":
             write_kwargs.setdefault("write_results", not invalidate_calc)
         else:
             write_kwargs.pop("write_results", None)