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Runtime error
Runtime error
Andrei tomut
commited on
Commit
•
f19b656
1
Parent(s):
4883dc5
example
Browse files- EXAMPLES/1WSe2-1.xyz +5 -0
- EXAMPLES/2C-1.xyz +4 -0
- app.py +2 -2
EXAMPLES/1WSe2-1.xyz
ADDED
@@ -0,0 +1,5 @@
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Lattice="3.3190066244679373 0.0 0.0 -1.6595033122339686 2.874344052118072 0.0 0.0 -0.0 18.35855280439282" Properties=species:S:1:pos:R:3 energy=-20.23394890963929 dipole="4.156834974026671 -2.399949791231153 7.96146364817403e-11" free_energy=-20.23394891305706 pbc="T T F"
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W 0.00000000 0.00000000 9.17927640
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Se 1.65950331 0.95811468 10.85855280
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Se 1.65950331 0.95811468 7.50000000
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EXAMPLES/2C-1.xyz
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Lattice="2.4672312604313453 -1.7550685731635223e-20 0.0 -1.233615630215672 2.1366849485446453 0.0 1.118374734265682e-17 0.0 15.0" Properties=species:S:1:pos:R:3 energy=-18.453766945888727 dipole="0.8699688255098961 -0.5022767355947244 3.473501422988429e-08" free_energy=-18.45387516640614 pbc="T T F"
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C 0.00000000 0.00000000 7.49999997
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C 1.23361563 0.71222832 7.50000001
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app.py
CHANGED
@@ -12,10 +12,10 @@ with gr.Blocks() as latmatcher:
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with gr.TabItem(label="file"):
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with gr.Row():
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with gr.Column(scale=1, min_width=400):
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label="format", info="Select file format")
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file_material_a = gr.File(label="material A file", )
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with gr.Column(scale=1, min_width=400):
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file_source_b = gr.Dropdown(["c2db.json", ".xyz", "bespoke.json"],
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label="format", info="Select file format")
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file_material_b = gr.File(label="material B file", )
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with gr.TabItem(label="file"):
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with gr.Row():
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with gr.Column(scale=1, min_width=400):
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exampple_file_a = gr.File(label="example file:",value="EXAMPLES/1WSe2-1.xyz" )
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file_material_a = gr.File(label="material A file", )
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with gr.Column(scale=1, min_width=400):
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exampple_file_b = gr.File(label="example file:",value="EXAMPLES/2C-1.xyz" )
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file_source_b = gr.Dropdown(["c2db.json", ".xyz", "bespoke.json"],
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label="format", info="Select file format")
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file_material_b = gr.File(label="material B file", )
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