Alternatives and similar repositories for dftatom

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

• yambo-code / yambo
  This is the official GPL repository of the yambo code
  ☆121Updated 3 weeks ago
• hande-qmc / hande
  Open source stochastic quantum chemistry
  ☆76Updated 3 weeks ago
• lanl / LATTE
  Developer repository for the LATTE code
  ☆46Updated 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…
  ☆51Updated last week
• QuantumPackage / qp2
  Quantum Package : a programming environment for wave function methods
  ☆77Updated 2 weeks ago
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆45Updated 4 months ago
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆36Updated last 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…
  ☆64Updated 3 weeks ago
• TREX-CoE / trexio
  TREX I/O library
  ☆61Updated 2 months ago
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆83Updated last year
• fspiga / qe-gpu
  GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN
  ☆65Updated 5 years ago
• LCPQ / qcmath
  Mathematica modules for electronic structure calculations
  ☆36Updated 2 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
• susilehtola / HelFEM
  Finite element methods for electronic structure calculations on small systems
  ☆41Updated 3 weeks ago
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆48Updated 2 years ago
• libnegf / libnegf
  ☆21Updated last month
• OrderN / CONQUEST-release
  Full public release of large scale and linear scaling DFT code CONQUEST
  ☆116Updated this week
• libmbd / libmbd
  Many-body dispersion library
  ☆56Updated 2 weeks ago
• EDRIXS / edrixs
  An open source toolkit for simulating RIXS spectra based on ED
  ☆35Updated last week
• fkfest / NECI_STABLE
  Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.
  ☆50Updated 2 years ago
• wavefunction91 / ExchCXX
  Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++
  ☆27Updated last month
• mstsuite / lsms
  LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.
  ☆28Updated 2 months ago
• aromanro / DFTAtom
  Density Functional Theory in real space, for atoms, LDA and LSDA
  ☆30Updated last year
• dceresoli / qe-gipaw
  QE-GIPAW for Quantum-Espresso (official repository)
  ☆37Updated 2 months ago
• nomad-coe / greenX
  Library for Green’s function based electronic structure theory calculations
  ☆28Updated 5 months ago
• wavefunction91 / GauXC
  GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …
  ☆40Updated this week
• QEF / q-e_old
  Official mirror of Quantum ESPRESSO
  ☆47Updated 7 years ago
• MolSSI / MIRP
  MolSSI Integral Reference Project
  ☆26Updated 4 years ago
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆89Updated 3 weeks ago