ManasSharma07 commited on
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2727bd3
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1 Parent(s): 196c247

Update src/streamlit_app.py

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  1. 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}