Calculate PRDF and RDF online from crystal structures or LAMMPS trajectory file

XRDlicious - (P)RDF Tool

Access the tool here: xrdlicious.com

Compute online pair radial distribution functions (PRDF) and total radial distribution functions (RDF) directly from crystal structure files, supporting formats such as CIF, POSCAR (VASP), LMP (LAMMPS), XSF, and PW.

Additionally, you can upload LAMMPS trajectory files (.dump, .lammpstrj) to calculate the average (P)RDF across all frames, or the (P)RDF for each individual frame. Use the animation feature to visualize how the (P)RDF evolves over time.

! Note !: The app is currently hosted on the free Streamlit Community Cloud, which has a resource limit of 2.7 GB. If you need to upload larger files, you can locally compile XRDlicious and adjust the upload size limit as needed. Should we observe increased usage and demand for larger files, we plan to upgrade to a paid server to provide more resources.