diff --git a/.github/workflows/post-process.yml b/.github/workflows/post-process.yml index fa77f62c..90f770cc 100644 --- a/.github/workflows/post-process.yml +++ b/.github/workflows/post-process.yml @@ -29,6 +29,6 @@ jobs: - # It is often a desired behavior to merge only when a workflow execution # succeeds. This can be changed as needed. if: ${{ github.event.workflow_run.conclusion == 'success' }} - uses: rymndhng/release-on-push-action@v0.20.0 + uses: rymndhng/release-on-push-action@v0.23.1 with: bump_version_scheme: norelease diff --git a/src/rxn_network/thermo/chempot_diagram.py b/src/rxn_network/thermo/chempot_diagram.py index a60bc15f..6dcf4675 100644 --- a/src/rxn_network/thermo/chempot_diagram.py +++ b/src/rxn_network/thermo/chempot_diagram.py @@ -189,6 +189,11 @@ def _get_metastable_domains(self): formula = e.composition.reduced_formula new_entry = e_set.get_stabilized_entry(e) cpd = ChemicalPotentialDiagram(list(e_dict.values()) + [new_entry]) - metastable_domains[formula] = cpd.domains[formula] + + try: + metastable_domains[formula] = cpd.domains[formula] + except KeyError: + print(e.composition.reduced_formula) + continue return metastable_domains