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CMMDE
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mod gui

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Aditya Wibawa Sakti 2 years ago
parent e23a6f0ecd
commit eac6dd41e4
1 changed files with 2 additions and 2 deletions
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      cmmde_gui/gui.py

4
cmmde_gui/gui.py
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@ -239,11 +239,11 @@ def cmmde_gui():
Checkcalc_btn_main.on_click(calc_progress) Checkcalc_btn_main.on_click(calc_progress)
def calc_progress_post(event): def calc_progress_post(event):
Folder = workdir + "/" + id_input.value + "/" + Molecule_input.value + post_calc[post_btn.value] Folder = workdir + "/" + id_input.value + "/" + Molecule_input.value + "/" + post_calc[post_btn.value]
os.chdir(Folder) os.chdir(Folder)
cmd = subprocess.run(["tail", "-n", "10", "cmmd.out"],capture_output=True,text=True) cmd = subprocess.run(["tail", "-n", "10", "cmmd.out"],capture_output=True,text=True)
TextArea.value = TextArea.value + "\n" + cmd.stdout TextArea.value = TextArea.value + "\n" + cmd.stdout
Checkcalc_btn_post = pn.widgets.Button(name="Check calculation",button_type='primary') Checkcalc_btn_post = pn.widgets.Button(name="Check post-calculation",button_type='primary')
Checkcalc_btn_post.on_click(calc_progress_post) Checkcalc_btn_post.on_click(calc_progress_post)
# # Download Button # # Download Button
download_xyz = pn.widgets.FileDownload(file="cmmd.xyz",filename="optimized.xyz") download_xyz = pn.widgets.FileDownload(file="cmmd.xyz",filename="optimized.xyz")

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