From 832c9fc51af833e86d01d0172e88c1cb0adbd82b Mon Sep 17 00:00:00 2001 From: Aditya Wibawa Sakti Date: Tue, 16 Aug 2022 03:07:54 +0700 Subject: [PATCH] add IR spectra and download features --- cmmde_gui/gui.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/cmmde_gui/gui.py b/cmmde_gui/gui.py index 161db11..62b8091 100755 --- a/cmmde_gui/gui.py +++ b/cmmde_gui/gui.py @@ -311,8 +311,8 @@ def cmmde_gui(): return pn.template.MaterialTemplate( sidebar_width=410, - site="CMMDE-GUI", - title="", + site="Computational Molecular and Material Design Environment", + title="CMMDE", main=[TextArea, editor, xyzviewer], sidebar=[pn.Card(id_input,title="User Information",collapsed=True),pn.Card(Molecule_input,charge,mult,checkdir_btn,TextWarning,pn.Card(FileInput,title="Upload molecule",collapsed=True),title="Molecule Information",collapsed=True),pn.Card(Material_input, materialdir_btn,TextWarning, pn.Card(Material_upload,title="Unit cell",collapsed=True),hkl_input,size_input,layer_input,pn.Row(slabbuilder_btn,visual_btn),pn.Row(download_xyz,download_slab),title="Surface Builder",collapsed=True),pn.Card(software_btn,job_btn,method_btn,pn.Row(Run_btn,Progress_btn),pn.Row(Checkcalc_btn,visual_btn),download_xyz,title="Main Calculation",collapsed=True),pn.Card(post_software_btn,post_btn,post_method_btn,pn.Row(runpost_btn,Progress_btn),pn.Row(Checkcalc_btn,visual_btn),pn.Row(download_spec_raw,download_spec_plot),pn.Row(download_opt_raw,download_opt_plot),title="Post-Calculation",collapsed=True)], header_background=accent, accent_base_color=accent