Spaces:
Runtime error
Runtime error
add unused features
Browse files
app.py
CHANGED
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@@ -76,8 +76,6 @@ for subset in subsets:
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def create_phase_diagram(
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elements,
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max_e_above_hull,
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color_scheme,
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plot_style,
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functional,
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finite_temp,
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@@ -137,6 +135,7 @@ def create_phase_diagram(
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)
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for n, row in entries_df.iterrows()
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]
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# TODO: Fetch elemental entries (they are usually GGA calculations)
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# entries.extend([e for e in entries if e.composition.is_element])
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@@ -178,12 +177,12 @@ elements_input = gr.Textbox(
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placeholder="Enter elements separated by '-'",
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value="Li-Fe-O",
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)
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max_e_above_hull_slider = gr.Slider(
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)
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color_scheme_dropdown = gr.Dropdown(
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)
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plot_style_dropdown = gr.Dropdown(choices=["2D", "3D"], label="Plot Style")
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functional_dropdown = gr.Dropdown(choices=["PBE", "PBESol", "SCAN"], label="Functional")
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finite_temp_toggle = gr.Checkbox(label="Enable Finite Temperature Estimation")
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@@ -207,8 +206,8 @@ iface = gr.Interface(
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fn=create_phase_diagram,
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inputs=[
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elements_input,
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max_e_above_hull_slider,
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color_scheme_dropdown,
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plot_style_dropdown,
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functional_dropdown,
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finite_temp_toggle,
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def create_phase_diagram(
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elements,
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plot_style,
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functional,
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finite_temp,
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)
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for n, row in entries_df.iterrows()
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]
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+
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# TODO: Fetch elemental entries (they are usually GGA calculations)
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# entries.extend([e for e in entries if e.composition.is_element])
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placeholder="Enter elements separated by '-'",
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value="Li-Fe-O",
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)
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# max_e_above_hull_slider = gr.Slider(
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# minimum=0, maximum=1, value=0.1, label="Maximum Energy Above Hull (eV)"
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# )
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# color_scheme_dropdown = gr.Dropdown(
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# choices=["Energy Above Hull", "Formation Energy"], label="Color Scheme"
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# )
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plot_style_dropdown = gr.Dropdown(choices=["2D", "3D"], label="Plot Style")
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functional_dropdown = gr.Dropdown(choices=["PBE", "PBESol", "SCAN"], label="Functional")
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finite_temp_toggle = gr.Checkbox(label="Enable Finite Temperature Estimation")
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fn=create_phase_diagram,
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inputs=[
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elements_input,
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# max_e_above_hull_slider,
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# color_scheme_dropdown,
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plot_style_dropdown,
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functional_dropdown,
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finite_temp_toggle,
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