testing rdf w bond list

nomad-coe · Jan 30, 2025 · faa9521 · faa9521
1 parent 6969179
commit faa9521
Showing 1 changed file with 3 additions and 0 deletions.
diff --git a/simulationworkflowschema/molecular_dynamics.py b/simulationworkflowschema/molecular_dynamics.py
@@ -467,6 +467,9 @@ def archive_to_universe(
             sec_run, method_index=-1, model_index=-1
         )
 
+    # print('bond list:')
+    # print(bonds)
+
     # get the system times
     system_timestep = 1.0 * ureg.picosecond