Alternatives and similar repositories for LiquidDiffract

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

• tproffen / DiffuseCode
  Suite of programs to simulate disordered and nanomaterials
  ☆59Updated last month
• aoterodelaroza / gibbs2
  Thermodynamics of solids in the quasiharmonic approximation.
  ☆38Updated 2 weeks ago
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆88Updated 3 months ago
• costrouc / dftfit
  Interatomic potential creating using DFT training data.
  ☆27Updated 5 years ago
• cameronmcelfresh / xrd-simulate
  MATLAB Code to Simulate Basic XRD Patterns
  ☆17Updated 5 years ago
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆95Updated 2 weeks ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆46Updated 7 months ago
• quantumNerd / vasp_tutorial
  ☆30Updated 5 years ago
• materialsvirtuallab / nano106
  Course materials for NANO 106 - Crystallography of Materials
  ☆35Updated 3 years ago
• BerkeleyGW / BGWpy
  BerkeleyGW python
  ☆31Updated 3 years ago
• ltalirz / asetk
  Toolkit using the Atomistic Simulation Environment (ASE)
  ☆20Updated 5 years ago
• wojdyr / gosam
  generator of simple atomistic models
  ☆28Updated 7 years ago
• JQFonseca / computing_materials_science
  Jupyter notebooks for the Computing and Comunication skills 1st Year Materials Science Course at Manchester
  ☆46Updated last year
• ashtonmv / pyrho
  A real-space DFT code
  ☆16Updated 4 years ago
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆43Updated 2 years ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆64Updated last year
• potfit / potfit
  potfit force-matching code
  ☆41Updated last year
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆70Updated 3 months ago
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆90Updated last month
• tomkeus / vasp_unfold
  ☆29Updated last year
• MikeHeiber / KMC_Lattice
  A lightweight, object-oriented C++ library that contains a general framework for creating custom kinetic Monte Carlo simulation software …
  ☆21Updated 5 years ago
• vasp-dev / py4vasp
  Python interface for VASP
  ☆85Updated last week
• superstar54 / weas-widget
  A widget to visualize and edit atomic structures in Jupyter Notebook
  ☆37Updated 6 months ago
• wojdyr / debyer
  Debye's scattering equation & other analysis of atomistic models.
  ☆54Updated last year
• lingtikong / phana
  ☆27Updated last year
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆43Updated 2 weeks ago
• pace-neutrons / Euphonic
  Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…
  ☆38Updated last week
• mturiansky / nonrad
  Implementation for computing nonradiative recombination rates in semiconductors
  ☆49Updated 11 months ago
• ISISNeutronMuon / MDANSE
  MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments
  ☆26Updated this week
• kylebystrom / pawpyseed
  Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
  ☆33Updated 3 years ago