Alternatives and similar repositories for pseudo_dojo

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

• OrderN / CONQUEST-release
  Full public release of large scale and linear scaling DFT code CONQUEST
  ☆116Updated 2 months ago
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆129Updated last week
• qmcurrents / gimic
  Gauge-including magnetically induced currents.
  ☆31Updated last year
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆66Updated 9 months ago
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆45Updated 3 months ago
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆89Updated last week
• ifilot / pypwdft
  Python-based plane wave density functional theory code for educational purposes
  ☆33Updated 7 months ago
• libmbd / libmbd
  Many-body dispersion library
  ☆56Updated last year
• shankar1729 / jdftx
  JDFTx: software for joint density functional theory
  ☆94Updated last week
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆71Updated 5 months ago
• msg-byu / autoGR
  Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density
  ☆40Updated last year
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆148Updated last week
• dceresoli / qe-gipaw
  QE-GIPAW for Quantum-Espresso (official repository)
  ☆37Updated last month
• aiidateam / qe-tools
  Python tools for Quantum ESPRESSO
  ☆35Updated 2 weeks ago
• materialsproject / pymatgen-db
  Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…
  ☆51Updated 3 weeks ago
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆97Updated 3 weeks ago
• Z2PackDev / TBmodels
  A tool for creating and manipulating tight-binding models.
  ☆40Updated 7 months ago
• kylebystrom / pawpyseed
  Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
  ☆33Updated 3 years ago
• vossjo / ase-espresso
  ase interface for Quantum Espresso
  ☆68Updated 5 years ago
• RMGDFT / rmgdft
  RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…
  ☆51Updated last week
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆86Updated this week
• dalcorso / pslibrary
  A library of ultrasoft and PAW pseudopotentials
  ☆88Updated 3 years ago
• dftd3 / simple-dftd3
  Library first implementation of the D3 dispersion correction
  ☆71Updated 2 months ago
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆144Updated 7 months ago
• janberges / elphmod
  Python modules for electron–phonon models
  ☆36Updated this week
• exciting / exciting
  The exciting code is a powerful open-source DFT package targeted to scientific developers and users that need a modern and adaptable plat…
  ☆64Updated last week
• sozykinsa / GUI4dft
  GUI4dft - first free SIESTA oriented GUI
  ☆26Updated last week
• orex / supercell
  The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
  ☆103Updated last year
• UppASD / UppASD
  The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.
  ☆93Updated last week
• mstsuite / MuST
  Multiple Scattering Theory code for first principles calculations
  ☆70Updated last month