Alternatives and similar repositories for deft

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

• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆68Updated last year
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆92Updated 2 months ago
• hema-ted / pycdft
  ☆30Updated 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…
  ☆55Updated this week
• shankar1729 / jdftx
  JDFTx: software for joint density functional theory
  ☆100Updated 3 weeks ago
• nbwilding / DFT
  A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e.…
  ☆17Updated last year
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆44Updated last month
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆40Updated this week
• mhoffman / kmos
  kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier
  ☆59Updated last week
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆51Updated 2 years ago
• vossjo / ase-espresso
  ase interface for Quantum Espresso
  ☆68Updated 5 years ago
• qmcurrents / gimic
  Gauge-including magnetically induced currents.
  ☆31Updated 2 years ago
• susilehtola / erkale
  ERKALE -- HF/DFT from Hel
  ☆52Updated 2 weeks ago
• mcodev31 / libmsym
  molecular point group symmetry lib
  ☆89Updated last year
• xiangrufan / DFTfun_A_density_functional_theory_solver
  A matlab implementation of density functional theory, for demonstrative purpose
  ☆21Updated 8 years ago
• yambo-code / yambopy
  Python scripts to manage and postprocess quantum espresso and yambo calculation.
  ☆17Updated last week
• MikeHeiber / KMC_Lattice
  A lightweight, object-oriented C++ library that contains a general framework for creating custom kinetic Monte Carlo simulation software …
  ☆24Updated 5 years ago
• votca / xtp
  GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…
  ☆29Updated 4 years ago
• jkitchin / python-reaxff
  python wrappers for generating training files for the ReaxFF code
  ☆24Updated 11 years ago
• tkotani / ecalj
  The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).
  ☆35Updated 2 weeks ago
• lanl / LATTE
  Developer repository for the LATTE code
  ☆49Updated this week
• QEF / q-e_schrodinger
  Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite
  ☆19Updated last year
• llnl / qball
  Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, mole…
  ☆45Updated last year
• dceresoli / qe-gipaw
  QE-GIPAW for Quantum-Espresso (official repository)
  ☆39Updated 2 weeks ago
• f-fathurrahman / ffr-PWDFT
  A poor man's density functional theory program
  ☆14Updated last week
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆98Updated last week
• khavernathy / mcmd
  Monte Carlo and Molecular Dynamics Simulation Package
  ☆93Updated last year
• jochym / abinitio-methods
  Lecture materials for: Ab initio methods in solid state physics.
  ☆28Updated last month
• ifilot / dftcxx
  C++ based DFT program for educational purposes
  ☆63Updated last year
• llnl / inq
  This is a mirror. Please check our main website on gitlab.
  ☆29Updated 3 weeks ago