fix ase md failing for bad models (#355)

* fix ase md failing for bad models

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

ipsuite/calculators/ase_md.py

@@ -730,7 +730,9 @@ def run_md(self, atoms):  # noqa: C901
                     current_step += 1
 
         if not self.pop_last and self.steps_before_stopping != -1:
-            metrics_dict = update_metrics_dict(atoms, metrics_dict, self.checks)
+            metrics_dict = update_metrics_dict(
+                atoms, metrics_dict, self.checks, current_step
+            )
             atoms_cache.append(freeze_copy_atoms(atoms))
             current_step += 1