This web app allows you to create input files for the RIPER module of TURBOMOLE by selecting a material in the materialsproject.org database or a molecule in the PubChem database.
It also allows conversion from various file formats like CIF, XYZ, POSCAR, CAR, and PWSCF to the RIPER format making it easier to adapt TURBOMOLE in your existing workflows.
You can also analyze or debug RIPER output files as well as visualize density of states.
Not only that, you can also create input for band structure calculations and RT-TDDFT simulations.
Finally, you can also use it to get help with RIPER related examples, keywords, references, and tutorials.
The RIPER module is an implementation of Kohn-Sham DFT with Gaussian-type orbitals
(GTO) as basis functions that treats molecular and periodic systems of any dimensionality on an equal footing.
This GitHub repo contains all the source code of a streamlit web application for helping you set up DFT calculations for RIPER.
The web app is available at https://riper-tools.streamlit.app/.
Hint: Use the sidebar menu on the left to navigate between different options.
The app was originally created by me (https://github.com/manassharma07/) but now also contains contributions from https://github.com/Lexachoc.
I am a computational material scientist who like to work in the area of method development. I have obtained my PhD in Physics from Friedrich Schiller University Jena (FSU) Germany, under the supervision of Prof. Dr. Marek Sierka (CEO TURBOMOLE). My passion lies in developing codes and methods to model the light-matter interaction of hybrid systems.
You can find out more about me here: https://manas.bragitoff.com/