convert CIF data to inputs for XAS calculations with Feff, FDMNES, etc

A graphical tool for GIWAXS data analysis

Larch: Applications and Python Library for Data Analysis of X-ray Absorption Spectroscopy (XAS, XANES, XAFS, EXAFS), X-ray Fluorescence (XRF) Spectroscopy and Imaging, and more.

Quantum chemistry and solid state physics software package

X-ray Reference Data in SQLite library, including Python interface

LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.

Yet another debye simulator..

Yet another debye simulator..

It's a Reverse Monte Carlo (RMC) package, designed with Artificial intelligence and Reinforcement Machine Learning algorithms to solve atomic/molecular model structure by moving its atoms positions…

It's a Reverse Monte Carlo (RMC) package, designed with Artificial intelligence and Reinforcement Machine Learning algorithms to solve atomic/molecular model structure by moving its atoms positions…

Suite of programs to simulate disordered and nanomaterials

Debye's scattering equation & other analysis of atomistic models.

The future of Packmol

Julia installer and version multiplexer

Fortran Package Manager (fpm)

Packmol - Initial configurations for molecular dynamics simulations

Python GUI program for modeling organic PDF data collected at synchrotron and lab X-ray sources.

Python GUI program for modeling organic PDF data collected at synchrotron and lab X-ray sources.

Tools for hyperspectral x-ray and neutron scattering data loading, reduction, slicing, and visualization.

X-ray scattering simulator based on 3D fourier transform to accurately capture effects from paracrystallinity and orientational disorder. Inputs are .xyz or .pdb files (usually snapshots from molec…

Python-based GIWAXS data reduction and analysis software package from the Toney Group, University of Colorado Boulder.

DiffPy-CMI tutorial files for the ADD2019 workshop, ILL, Grenoble

C library for finding and handling crystal symmetries

Domain specific library for electronic structure calculations

A python library for reduction of 2-dimensional grazing-incidence and fibre diffraction data

Additional exercises and data for EE364a. No solutions; for public consumption.

hardware abstraction in Python with an emphasis on EPICS