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Merge pull request #100 from GENESIS-EFRC/dev
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Update Github action for release
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mattmcdermott authored Mar 2, 2022
2 parents b1fe2a2 + 307c7e6 commit a321e2a
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Showing 2 changed files with 7 additions and 2 deletions.
2 changes: 1 addition & 1 deletion .github/workflows/post-process.yml
Original file line number Diff line number Diff line change
Expand Up @@ -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
7 changes: 6 additions & 1 deletion src/rxn_network/thermo/chempot_diagram.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

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