fix

zadorlab · Oct 15, 2024 · ce4eafa · ce4eafa
1 parent 18fa879
commit ce4eafa
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/pynta/tasks.py b/pynta/tasks.py
@@ -1258,7 +1258,7 @@ def run_task(self, fw_spec):
             calculation_directories.append(os.path.split(init_path)[0])
             json_out = {"adjlist": config.to_adjacency_list(), "isolated_xyz": admol_path}
             with open(os.path.join(os.path.split(init_path)[0],'info.json'),'w') as f:
-                json.dump(json_out)
+                json.dump(json_out,f)
 
             if not any(bd.get_order_str() == 'R' for bd in config.get_all_edges()):
                 fwopt = optimize_firework(init_path,