Alternatives and similar repositories for DiffuseCode

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

• bjheinen / LiquidDiffract
  LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.
  ☆20Updated 5 months ago
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆98Updated last month
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆151Updated this week
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆49Updated 2 years ago
• jacobjma / PyQSTEM
  A Python interface to the electron microscopy simulation program QSTEM
  ☆65Updated 5 years ago
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆132Updated last month
• RMGDFT / rmgdft
  RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…
  ☆54Updated last week
• times-software / feff10
  ☆30Updated last week
• UppASD / UppASD
  The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.
  ☆95Updated this week
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆55Updated 2 weeks ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆47Updated 10 months ago
• dalcorso / pslibrary
  A library of ultrasoft and PAW pseudopotentials
  ☆89Updated 3 years ago
• ltalirz / asetk
  Toolkit using the Atomistic Simulation Environment (ASE)
  ☆20Updated 5 years ago
• SPARC-X / SPARC
  Simulation Package for Ab-initio Real-space Calculations
  ☆94Updated this week
• ajjackson / ascii-phonons
  Blender extensions for illustrations of phonons
  ☆67Updated 6 years ago
• materialyzeai / nano106
  Course materials for NANO 106 - Crystallography of Materials
  ☆36Updated 3 years ago
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆91Updated last month
• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆35Updated last week
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆81Updated 6 months ago
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆68Updated 10 months ago
• richard-evans / vampire
  Atomistic simulator for magnetic materials
  ☆144Updated last week
• DanPorter / Dans_Diffraction
  Reads crystallographic cif files and simulates diffraction
  ☆73Updated 2 months ago
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆71Updated 6 months ago
• aoterodelaroza / gibbs2
  Thermodynamics of solids in the quasiharmonic approximation.
  ☆38Updated 2 months ago
• jabl / vasputil
  Command-line utilities and Python libraries designed to make life with VASP easier
  ☆56Updated 6 years 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
• coudertlab / elate
  ELATE: Elastic tensor analysis
  ☆87Updated 2 months ago
• wojdyr / debyer
  Debye's scattering equation & other analysis of atomistic models.
  ☆56Updated 2 years ago
• marvel-nccr / quantum-mobile
  A Virtual Machine for computational materials science
  ☆94Updated 2 months ago
• mturiansky / nonrad
  Implementation for computing nonradiative recombination rates in semiconductors
  ☆49Updated last month