Update app.py

app.py

@@ -3,8 +3,7 @@ import os
 os.environ['KMP_DUPLICATE_LIB_OK']='True'
 
 import gradio as gr
-from interface_connection import compute_supercell_a, compute_supercell_b, gpaw_calc_energy
-
+from interface_connection import compute_supercell_a, compute_supercell_b
 with gr.Blocks() as latmatcher:
     gr.Markdown(
         "## Craft custom materials that precisely fit your needs wit our MaterialMattcher.\n Not sure from waht materials to start? Simply tell us your desired properties.")
@@ -64,56 +63,7 @@ with gr.Blocks() as latmatcher:
                                      max_angle, max_strain],
                              outputs=[file_angle, file_strain])
 
-        with gr.Tabs():
-            with gr.TabItem(label="GPAW calculator"):
-                file_gpaw_format = gr.Dropdown([".xyz", "bespoke.json"],
-                                            label="format", info="Select file format")
-                file_gpaw= gr.File(label="input file (xyz+celll or bespoke.json )", )
-
-                with gr.Row():
-                    convergence_forces=gr.Slider(0.001,0.1, label="convergence forces", step=0.0001)
-                    hund=gr.Dropdown(["True", "False"],label="hund", value="True" )
-                    xc=gr.Dropdown(["PBE","LDA"], allow_custom_value=True,label="xc", value="PBE")
-                    basis=gr.Dropdown(["dzp", None], allow_custom_value=True,label="basis", value=None)
-
-                gr.Markdown("Mixer:")
-                with gr.Row():
-                    beta = gr.Slider(0.000, 0.05, label="beta:", step=0.0001,value=0.01 )
-                    method = gr.Dropdown(["sum","difference", None], allow_custom_value=True, label="method:")
-                    weight = gr.Dropdown([100,200, None], allow_custom_value=True, label="weight:", value=100)
-                    backend= gr.Dropdown(["pulay", None], allow_custom_value=True, label="backend:", value=None)
-
-                gr.Markdown("Mode:")
-
-                with gr.Row():
-                    ecut=gr.Slider(100, 1000, label="ecut:", step=10,value=800 )
-                    mode_name=gr.Dropdown(["pw", None], allow_custom_value=True, label="mode_name:", value="pw")
-
-                maxiter = gr.Slider(100, 2000, label="maxiter:", step=10,value=100 )
-
-                kpts=gr.Textbox(label="KPTS:", info="kpts in dictionary list form")
-
-                gr.Markdown("log info:")
-                log_file_name=gr.Textbox(label="Name of log file",lines=1,value="gpaw_exp.log",)
-                mail=gr.Textbox( label="Mail:",
-                                 info="email at witch you wish to get the log file",
-                                 lines=1,
-                                 value="tomutvoicuandrei@gmail.com",)
-
-                gpaw_energy_button = gr.Button("Compute energy with GPAW calculator")
-                gpaw_energy=gr.Textbox(label="Potential energy:", info="computed energy:")
-
-                gpaw_energy_button.click(gpaw_calc_energy,
-                                 inputs=[file_gpaw_format,
-                                        file_gpaw,
-                                         convergence_forces,
-                                         hund,
-                                         xc, basis,
-                                         beta, method,
-                                         weight,backend,
-                                         ecut, mode_name,
-                                         maxiter, kpts,
-                                         log_file_name, mail],
-                                 outputs=[gpaw_energy])
+       
+
 
 latmatcher.launch(share=False)