GitHub - RMGDFT/rmgwebinterface: RMG web based input file generator. Click the following link to try. https://share.streamlit.io/rmgdft/rmgwebinterface/main/main.py

Branches Tags

Name		Name	Last commit message	Last commit date
Latest commit History 114 Commits
NEGF_examples		NEGF_examples
QE_examples		QE_examples
STM_example		STM_example
cifs		cifs
example_AFM		example_AFM
example_C60		example_C60
example_diamond_prim		example_diamond_prim
vasp_examples		vasp_examples
CifFile.py		CifFile.py
LICENSE		LICENSE
README		README
StarFile.py		StarFile.py
YappsStarParser_1_0.py		YappsStarParser_1_0.py
YappsStarParser_1_1.py		YappsStarParser_1_1.py
YappsStarParser_DDLm.py		YappsStarParser_DDLm.py
add_items.py		add_items.py
add_items_text.py		add_items_text.py
config_part.py		config_part.py
default_options		default_options
elementdata.py		elementdata.py
files_list_example		files_list_example
folder_picker.py		folder_picker.py
internal_pp_list.py		internal_pp_list.py
main.py		main.py
make_supercell.py		make_supercell.py
output_negf.py		output_negf.py
requirements.txt		requirements.txt
rmg_parser.py		rmg_parser.py
rmginput.py		rmginput.py
spacegroupdata.py		spacegroupdata.py
uctools.py		uctools.py
utils.py		utils.py
view_xyz.py		view_xyz.py
yapps3_compiled_rt.py		yapps3_compiled_rt.py

Repository files navigation

Generate RMG input from cif or other file formats

(1)use streamlit on your linux machine
streamlit run main.py

(2) use the cloud server 
 https://rmgdft-rmgwebinterface-main-y6jk8h.streamlit.app/

(3)rmginput.py files_list
   files_list is a text file where all inititial files location and genenerated
   rmginput file location
   check the example of files_list_example

(4)rmginput.py files_list default_options
   one can change the file default_options to modify input options for all
   input files