Alternatives and similar repositories for fdmnes

Users that are interested in fdmnes are comparing it to the libraries listed below

• tinaw / pyFDMNES
  python wrapper for fdmnes data input/output
  ☆13Updated 4 years ago
• gudasergey / pyFitIt
  Python implementation of FitIt software to fit X-ray absorption near edge structure (XANES) extended with additional features.
  ☆40Updated 11 months ago
• bruceravel / demeter
  Process and analyze X-ray Absorption Spectroscopy data using Feff and either Larch or Ifeffit.
  ☆75Updated 6 months ago
• mretegan / crispy
  Core-Level Spectroscopy Simulations in Python
  ☆42Updated 10 months ago
• times-software / feff10
  ☆30Updated 2 weeks ago
• times-software / Corvus
  ☆12Updated 3 weeks ago
• xraypy / xraylarch
  Larch: Applications and Python Library for Data Analysis of X-ray Absorption Spectroscopy (XAS, XANES, XAFS, EXAFS), X-ray Fluorescence (…
  ☆163Updated this week
• AET-MetallicGlass / Supplementary-Data-Codes
  This folder contains the source codes and data for the metallic glass paper
  ☆33Updated last year
• osscar-org / jupyterlab-mol-visualizer
  A JupyterLab launcher extension to view the molecular orbitals.
  ☆19Updated last year
• tproffen / DiffuseCode
  Suite of programs to simulate disordered and nanomaterials
  ☆60Updated last week
• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆35Updated 2 weeks ago
• dkriegner / xrayutilities
  xrayutilities - a package with useful scripts for X-ray diffraction physicists
  ☆93Updated 2 weeks ago
• pylada / pylada-light
  A physics computational framework for python and ipython
  ☆38Updated 4 months ago
• sekocha / pypolymlp
  Generator of polynomial machine learning potentials
  ☆18Updated 2 weeks ago
• JuDFTteam / aiida-kkr
  AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calcula…
  ☆15Updated 3 months ago
• DanPorter / Dans_Diffraction
  Reads crystallographic cif files and simulates diffraction
  ☆73Updated 2 months ago
• jevandezande / spectra
  A package for plotting and manipulating 1D spectra
  ☆12Updated last year
• bjheinen / LiquidDiffract
  LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.
  ☆20Updated 5 months ago
• wolverton-research-group / periodic-table-plotter
  Make periodic table map plots and pettifor-style trend plots.
  ☆28Updated 7 years ago
• QEF / postqe
  ☆20Updated 2 years ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆47Updated 10 months ago
• AI-multimodal / Lightshow
  A one-stop-shop for handling data in computational spectroscopy
  ☆17Updated last week
• pyiron / pylammpsmpi
  Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…
  ☆35Updated this week
• msg-byu / autoGR
  Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density
  ☆40Updated last year
• yambo-code / yambopy
  Python scripts to manage and postprocess quantum espresso and yambo calculation.
  ☆16Updated last week
• xtalopt / XtalOpt
  Official public repository for the XtalOpt crystallographic multi-objective variable-composition evolutionary algorithm
  ☆48Updated last month
• lmmentel / ase-espresso
  ase interface for Quantum Espresso
  ☆22Updated 4 years ago
• mhoffman / kmos
  kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier
  ☆58Updated 7 years ago
• aoterodelaroza / gibbs2
  Thermodynamics of solids in the quasiharmonic approximation.
  ☆38Updated 2 months ago
• materialyzeai / nano106
  Course materials for NANO 106 - Crystallography of Materials
  ☆36Updated 3 years ago