Alternatives and similar repositories for GSAS-II

Users that are interested in GSAS-II are comparing it to the libraries listed below

• DanPorter / Dans_Diffraction
  Reads crystallographic cif files and simulates diffraction
  ☆72Updated 2 months ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆67Updated last year
• vasp-dev / py4vasp
  Python interface for VASP
  ☆87Updated this week
• njszym / XRD-AutoAnalyzer
  ☆109Updated 3 months ago
• libAtoms / matscipy
  Materials science with Python at the atomic-scale
  ☆222Updated this week
• coudertlab / elate
  ELATE: Elastic tensor analysis
  ☆86Updated last month
• ThFriedrich / lammps_vscode
  VSCODE extension for language support of LAMMPS scripts
  ☆53Updated 2 weeks ago
• oekosheri / GB_code
  A grain boundary generation code
  ☆78Updated 2 years ago
• henriasv / lammps-logfile
  Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.
  ☆64Updated 8 months ago
• gudasergey / pyFitIt
  Python implementation of FitIt software to fit X-ray absorption near edge structure (XANES) extended with additional features.
  ☆39Updated 10 months ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆64Updated last year
• enze-chen / grip
  Grand canonical optimization of grain boundary phases.
  ☆29Updated 6 months ago
• mushroomfire / mdapy
  A simple and fast python library to handle the data generated from molecular dynamics simulations
  ☆85Updated 2 weeks ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆47Updated 9 months ago
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆125Updated 3 weeks ago
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆43Updated 2 months ago
• hidecode221b / LG4X
  A graphical user interface of Python lmfit package was developed for standard X-ray photoemission spectroscopy (XPS) curve fitting analys…
  ☆54Updated 5 months ago
• materialsproject / workshop
  The Materials Project Workshop Curriculum
  ☆116Updated 2 years ago
• dkriegner / xrayutilities
  xrayutilities - a package with useful scripts for X-ray diffraction physicists
  ☆93Updated this week
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆88Updated 2 weeks ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆133Updated last month
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆92Updated 3 months ago
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆62Updated 11 months ago
• cp2k / cp2k-input-tools
  Fully validating pure-python CP2K input file tools including preprocessing capabilities
  ☆55Updated last week
• wojdyr / gosam
  generator of simple atomistic models
  ☆28Updated 7 years ago
• cp2k / cp2k-output-tools
  Python tools to handle CP2K output files
  ☆43Updated last week
• aiida-vasp / aiida-vasp
  A plugin to AiiDA for running simulations with VASP
  ☆57Updated this week
• pierrehirel / atomsk
  Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
  ☆235Updated 3 weeks ago
• lammpstutorials / lammpstutorials.github.io
  LAMMPS tutorials for both beginners and advanced users
  ☆127Updated last month
• materialsproject / crystaltoolkit
  Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.
  ☆183Updated last week