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Update src/streamlit_app.py
Browse files- src/streamlit_app.py +11 -6
src/streamlit_app.py
CHANGED
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@@ -1317,13 +1317,18 @@ if atoms is not None:
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st.markdown("### Optimization Trajectory")
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st.write(f"Captured {len(trajectory)} optimization steps")
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st.download_button(
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label="Download Optimization Trajectory (XYZ)",
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data=trajectory_xyz,
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file_name="optimization_trajectory.xyz",
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mime="chemical/x-xyz"
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)
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except Exception as e:
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st.warning(f"Could not process trajectory: {e}")
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st.markdown("### Optimization Trajectory")
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st.write(f"Captured {len(trajectory)} optimization steps")
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@st.fragment
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def show_trajectory_download_button():
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# st.button("Release the balloons", help="Fragment rerun")
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# st.balloons()
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st.download_button(
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label="Download Optimization Trajectory (XYZ)",
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data=trajectory_xyz,
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file_name="optimization_trajectory.xyz",
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mime="chemical/x-xyz"
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)
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show_trajectory_download_button()
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except Exception as e:
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st.warning(f"Could not process trajectory: {e}")
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