Lists (6)
Forked
Lessons
Lessons or training repositories relevant to scientific computing applications.Projects
Projects relevant to Ph.D. dissertation.Publication Archives
Repository for archiving publication data.Tools
Tools for analysis, processing, and data visualization.X-ray Scattering
Packages relevant to X-ray scattering and analysis.Stars
convert CIF data to inputs for XAS calculations with Feff, FDMNES, etc
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.
kewh5868 / IsoScatter
Forked from tchaney97/IsoScatterYet another debye simulator..
kewh5868 / fullrmc
Forked from bachiraoun/fullrmcIt'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.
Packmol - Initial configurations for molecular dynamics simulations
kewh5868 / xINTERPDF
Forked from curieshicy/xINTERPDFPython 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
kewh5868 / spglib
Forked from spglib/spglibC library for finding and handling crystal symmetries
kewh5868 / SIRIUS
Forked from electronic-structure/SIRIUSDomain specific library for electronic structure calculations
kewh5868 / pygix
Forked from tgdane/pygixA python library for reduction of 2-dimensional grazing-incidence and fibre diffraction data
Additional exercises and data for EE364a. No solutions; for public consumption.