Alternatives and similar repositories for qe-gpu:

Users that are interested in qe-gpu are comparing it to the libraries listed below

• hfp / xconfigure
  High-Performance configuration patterns and recipes.
  ☆45Updated 2 weeks ago
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆31Updated last month
• wavefunction91 / GauXC
  GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …
  ☆30Updated 6 months 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
• nomad-coe / greenX
  Library for Green’s function based electronic structure theory calculations
  ☆23Updated last week
• libnegf / libnegf
  ☆19Updated 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…
  ☆48Updated this week
• mstsuite / lsms
  LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.
  ☆28Updated last week
• certik / dftatom
  Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations
  ☆77Updated 2 months ago
• espressopp / espressopp
  Main ESPResSo++ repository
  ☆44Updated 3 months ago
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆41Updated 3 months ago
• scafacos / scafacos
  ScaFaCoS library for Fast Coulomb Solvers
  ☆29Updated last month
• lanl / LATTE
  Developer repository for the LATTE code
  ☆40Updated last week
• hpc-uk / build-instructions
  Contains build scripts and instructions for software on a variety of UK HPC resources
  ☆83Updated 2 weeks ago
• LLNL / mgmol
  MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…
  ☆43Updated this week
• hande-qmc / hande
  Open source stochastic quantum chemistry
  ☆74Updated 2 months ago
• QEF / q-e_old
  Official mirror of Quantum ESPRESSO
  ☆48Updated 7 years ago
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆42Updated last year
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆28Updated 2 years ago
• ExaChem / exachem
  Open Source Exascale Computational Chemistry Software
  ☆25Updated last month
• egplar / vasptest
  A test suite for the VASP electronic structure code
  ☆38Updated 11 years ago
• wavefunction91 / ExchCXX
  Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++
  ☆19Updated last month
• ghb24 / NECI_STABLE
  Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.
  ☆45Updated last year
• dftfeDevelopers / dftfe
  DFT-FE: Real-space DFT calculations using Finite Elements
  ☆135Updated this week
• pseewald / fortran-einsum-example
  A generic implementation of tensor einsum in Fortran.
  ☆26Updated 4 years ago
• electronic-structure / SIRIUS
  Domain specific library for electronic structure calculations
  ☆138Updated this week
• NWChemEx / TAMM
  Tensor Algebra for many-body methods
  ☆14Updated last week
• wavefunction91 / MACIS
  A modern C++ library for high-performance configuration interaction methods
  ☆16Updated 2 weeks ago
• vanderhe / fortnet
  Fortnet is a Behler-Parrinello-Neural-Network implementation, written in modern Fortran.
  ☆31Updated last month
• yambo-code / yambo
  This is the official GPL repository of the yambo code
  ☆106Updated this week