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Update src/streamlit_app.py
Browse files- src/streamlit_app.py +1 -1
src/streamlit_app.py
CHANGED
@@ -924,7 +924,7 @@ if atoms is not None:
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results["Error"] = "Missing FairChem reference energies."
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calculation_possible = False
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-
else == "MACE":
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st.write("Calculating isolated atom energies with MACE...")
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unique_atomic_numbers = sorted(list(set(atomic_numbers)))
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atom_counts = {Z_unique: np.count_nonzero(atomic_numbers == Z_unique) for Z_unique in unique_atomic_numbers}
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results["Error"] = "Missing FairChem reference energies."
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calculation_possible = False
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+
else:# == "MACE":
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st.write("Calculating isolated atom energies with MACE...")
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unique_atomic_numbers = sorted(list(set(atomic_numbers)))
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atom_counts = {Z_unique: np.count_nonzero(atomic_numbers == Z_unique) for Z_unique in unique_atomic_numbers}
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