added check for when free_energies dict is None

nomad-coe · Feb 26, 2024 · d415d0e · d415d0e
1 parent 6dc1257
commit d415d0e
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/atomisticparsers/gromacs/parser.py b/atomisticparsers/gromacs/parser.py
@@ -1475,7 +1475,7 @@ def parse_workflow(self):
             self.xvg_parser.mainfile = self.get_gromacs_file("xvg")
             free_energies = self.xvg_parser.get("results")
 
-            title = free_energies.get("title", "")
+            title = free_energies.get("title", "") if free_energies is not None else ""
             flag_FE = False
             if r"dH/d\xl\f{}" in title and r"\xD\f{}H" in title:
                 flag_FE = True