feff

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Here are 6 public repositories matching this topic...

bruceravel / demeter

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Process and analyze X-ray Absorption Spectroscopy data using Feff and either Larch or Ifeffit.

perl data-analysis larch x-ray-absorption-fine-structure x-ray-absorption-spectroscopy feff

Updated Jun 3, 2025
Perl

JannickWeisshaupt / OpenDFT

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Open source graphical interface to various DFT/Quantum chemistry codes

dft graphical-interface density-functional-theory nwchem quantum-chemistry quantum-espresso abinit exciting feff

Updated Dec 8, 2022
Python

AlejandroSerranoCapote / EXAFS-Analyzer

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An open-source Python GUI for processing, analyzing, and fitting X-ray Absorption Spectroscopy (XAS/EXAFS) data. It serves as an interactive frontend for Larch and FEFF8.

aps larch feff exafs

Updated May 1, 2026
Python

Ameyanagi / feff10-rs

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Rust wrapper for FEFF10 X-ray absorption and electronic structure calculations.

rust physics scientific-computing spectroscopy x-ray-absorption-spectroscopy feff exafs xas xanes

Updated Jun 10, 2026
Rust

Ameyanagi / structure2feff

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Convert crystal structures into FEFF input files for XAS calculations.

crystallography materials-science x-ray-absorption-spectroscopy feff xas

Updated Mar 6, 2023

Ameyanagi / xafsutil

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Utility scripts for XAFS/XANES workflows, including NN-XANES helpers and XYZ-to-FEFF conversion.

python spectroscopy x-ray-absorption-spectroscopy feff xafs xas xanes

Updated Nov 2, 2023
Python

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