Projects in Awesome Lists tagged with radial-distribution-function
A curated list of projects in awesome lists tagged with radial-distribution-function .
https://github.com/elcorto/pwtools
pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with some tools extending numpy/scipy. It has a set of powerful parsers and data types for storing calculation data.
ase cp2k cpmd kernel-regression kernel-ridge-regression lammps molecular-dynamics multivariate-regression parameter-sweep polynomial-regression postprocessing preprocessing python quantum-espresso quasi-harmonic-approximation radial-basis-function radial-distribution-function radial-pair-correlation-function sqlite
Last synced: 14 Oct 2025
https://github.com/by256/rdfpy
A Python module for fast computation of 2D and 3D radial distribution functions (RDFs).
chemistry pair-correlation-function pair-distribution-function particles physics radial-distribution-function rdf scattering solid-state-chemistry solid-state-physics
Last synced: 21 Oct 2025
https://github.com/neutrons/addie
ADvanced DIffraction Environment - GUI for Reduction of Neturon Time-of-Flight Total Scattering Diffraction Data
mantid neutron-scattering pair-distance-distribution-function radial-distribution-function time-of-flight
Last synced: 01 Feb 2026
https://github.com/bracerino/xrdlicious
Online calculator of partial radial distribution function (PRDF), global RDF, and XRD/ND patterns for crystal structures.
crystal-structure diffraction-pattern nd neutron-diffraction powder-diffraction prdf radial-distribution-function rdf web-based-application x-ray-diffraction xrd
Last synced: 21 Feb 2026
