mod gui

2 years ago · acac7f4fcc
parent dbb9a3fd41
commit acac7f4fcc
1 changed files with 1 additions and 2 deletions
--- a/cmmde_gui/gui.py
+++ b/cmmde_gui/gui.py
@ -202,7 +202,6 @@ def cmmde_gui():
            # Folder = workdir + "/" + id_input.value + "/" + Molecule_input.value 
            # os.chdir(Folder) 
            Post_folder = Folder + "/" + post_calc[post_btn.value] 
            if not os.path.exists(Post_folder):
            os.makedirs(Post_folder)
            os.chdir(Post_folder)
            list_commands = ["cmmde.py","-i","{}/cmmd.xyz".format(Folder+"/"+job[job_main.value]),"-s","{}".format(post_software[post_software_main.value]),"-j","{}".format(post_calc[post_btn.value]),"-m","{}".format(post_method[post_method_btn.value])]