Debug: out_file_key to out_file

MolarVerse · Sep 2, 2024 · 21479a0 · 21479a0
1 parent ba6846f
commit 21479a0
Showing 1 changed file with 1 addition and 2 deletions.
diff --git a/PQAnalysis/analysis/thermal_expansion/api.py b/PQAnalysis/analysis/thermal_expansion/api.py
@@ -71,9 +71,8 @@ def thermal_expansion(
     _thermal_expansion = ThermalExpansion(
         temperature_points=temperature_points, boxes=box_data
     )
-
     data_writer = ThermalExpansionDataWriter(
-        filename=input_reader.out_file_key, mode=mode
+        filename=input_reader.out_file, mode=mode
     )
 
     log_writer = ThermalExpansionLogWriter(