Alternatives and similar repositories for dftatom

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

• lanl / LATTE
  Developer repository for the LATTE code
  ☆43Updated last month
• yambo-code / yambo
  This is the official GPL repository of the yambo code
  ☆111Updated this week
• hande-qmc / hande
  Open source stochastic quantum chemistry
  ☆74Updated last month
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆42Updated 2 months ago
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆44Updated last year
• aromanro / DFTAtom
  Density Functional Theory in real space, for atoms, LDA and LSDA
  ☆30Updated last year
• 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
  ☆85Updated last year
• QuantumPackage / qp2
  Quantum Package : a programming environment for wave function methods
  ☆74Updated 3 weeks ago
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆33Updated 3 weeks ago
• libmbd / libmbd
  Many-body dispersion library
  ☆54Updated 8 months ago
• dftlibs / xcfun
  XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives
  ☆60Updated 2 years ago
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆82Updated 11 months ago
• sissaschool / turborvb
  Quantum Monte Carlo package, TurboRVB
  ☆29Updated 3 months ago
• QEF / q-e_old
  Official mirror of Quantum ESPRESSO
  ☆48Updated 7 years ago
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆51Updated last week
• ghb24 / NECI_STABLE
  Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.
  ☆45Updated last year
• mstsuite / lsms
  LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.
  ☆28Updated 3 weeks ago
• SebWouters / CheMPS2
  CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
  ☆70Updated 3 weeks 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 3 years ago
• libnegf / libnegf
  ☆19Updated 3 weeks ago
• dftd3 / simple-dftd3
  Library first implementation of the D3 dispersion correction
  ☆66Updated last month
• Molcas / OpenMolcas
  The official OpenMolcas repository is at https://gitlab.com/Molcas/OpenMolcas, this is only a mirror. OpenMolcas is a quantum chemistry s…
  ☆61Updated last week
• OrderN / CONQUEST-release
  Full public release of large scale and linear scaling DFT code CONQUEST
  ☆110Updated 2 months ago
• Z2PackDev / TBmodels
  A tool for creating and manipulating tight-binding models.
  ☆39Updated 3 months ago
• EDRIXS / edrixs
  An open source toolkit for simulating RIXS spectra based on ED
  ☆35Updated this week
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆28Updated 2 years ago
• 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…
  ☆60Updated 4 months ago
• dceresoli / qe-gipaw
  QE-GIPAW for Quantum-Espresso (official repository)
  ☆35Updated 2 weeks ago
• hfp / xconfigure
  High-Performance configuration patterns and recipes.
  ☆45Updated this week