Alternatives and similar repositories for deft

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

• shankar1729 / jdftx
  JDFTx: software for joint density functional theory
  ☆91Updated last month
• nbwilding / DFT
  A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e.…
  ☆16Updated 5 months ago
• ifilot / dftcxx
  C++ based DFT program for educational purposes
  ☆61Updated 7 months ago
• f-fathurrahman / ffr-PWDFT
  A poor man's density functional theory program
  ☆13Updated 8 months 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…
  ☆48Updated 2 weeks ago
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆86Updated last month
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆67Updated 5 months ago
• materialsvirtuallab / nano106
  Course materials for NANO 106 - Crystallography of Materials
  ☆35Updated 3 years ago
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆44Updated last year
• jkitchin / python-reaxff
  python wrappers for generating training files for the ReaxFF code
  ☆24Updated 11 years ago
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆44Updated this week
• dceresoli / qe-gipaw
  QE-GIPAW for Quantum-Espresso (official repository)
  ☆35Updated last month
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆95Updated last week
• ltalirz / asetk
  Toolkit using the Atomistic Simulation Environment (ASE)
  ☆19Updated 5 years ago
• dftlibs / xcfun
  XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives
  ☆60Updated 2 years ago
• vossjo / ase-espresso
  ase interface for Quantum Espresso
  ☆68Updated 5 years ago
• QEF / q-e_schrodinger
  Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite
  ☆21Updated last year
• hema-ted / pycdft
  ☆30Updated 5 years ago
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆53Updated this week
• QEF / q-e_old
  Official mirror of Quantum ESPRESSO
  ☆49Updated 7 years ago
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆121Updated last week
• qmcurrents / gimic
  Gauge-including magnetically induced currents.
  ☆28Updated last year
• QWalk / mainline
  The mainline development distribution for QWalk
  ☆35Updated 5 years ago
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆31Updated 3 years ago
• mcodev31 / libmsym
  molecular point group symmetry lib
  ☆87Updated 10 months ago
• certik / dftatom
  Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations
  ☆80Updated 6 months ago
• ifilot / pypwdft
  Python-based plane wave density functional theory code for educational purposes
  ☆30Updated 3 months ago
• jochym / abinitio-methods
  Lecture materials for: Ab initio methods in solid state physics.
  ☆21Updated 7 months ago
• zevanzhao / TCCL-Code
  Code and scripts for theoretical and computational chemistry, developed in TCCL, Department of Chemistry, Tsinghua University. These sc…
  ☆21Updated 11 years ago
• janberges / elphmod
  Python modules for electron–phonon models
  ☆33Updated 2 weeks ago