Alternatives and similar repositories for xconfigure

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

• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆45Updated 2 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…
  ☆50Updated this week
• mstsuite / lsms
  LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.
  ☆28Updated 3 weeks ago
• egplar / vasptest
  A test suite for the VASP electronic structure code
  ☆39Updated 11 years ago
• QEF / q-e_old
  Official mirror of Quantum ESPRESSO
  ☆47Updated 7 years ago
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆46Updated last year
• fspiga / qe-gpu
  GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN
  ☆63Updated 5 years ago
• yambo-code / yambo
  This is the official GPL repository of the yambo code
  ☆120Updated last month
• Z2PackDev / TBmodels
  A tool for creating and manipulating tight-binding models.
  ☆40Updated 7 months 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…
  ☆62Updated this week
• OrderN / CONQUEST-release
  Full public release of large scale and linear scaling DFT code CONQUEST
  ☆115Updated last month
• sissaschool / turborvb
  Quantum Monte Carlo package, TurboRVB
  ☆31Updated last month
• lanl / LATTE
  Developer repository for the LATTE code
  ☆46Updated this week
• libnegf / libnegf
  ☆21Updated 2 weeks ago
• susilehtola / erkale
  ERKALE -- HF/DFT from Hel
  ☆51Updated 3 months ago
• QEF / benchmarks
  Benchmark calculations with Quantum Espresso
  ☆15Updated last year
• mstsuite / MuST
  Multiple Scattering Theory code for first principles calculations
  ☆69Updated last week
• hande-qmc / hande
  Open source stochastic quantum chemistry
  ☆76Updated 2 months ago
• smaintz-nv / gpu-vasp-files
  ☆17Updated 8 years ago
• electronic-structure / SIRIUS
  Domain specific library for electronic structure calculations
  ☆151Updated this week
• shankar1729 / jdftx
  JDFTx: software for joint density functional theory
  ☆92Updated last week
• tkotani / ecalj
  The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).
  ☆33Updated last month
• BerkeleyGW / BGWpy
  BerkeleyGW python
  ☆31Updated 3 years ago
• janberges / elphmod
  Python modules for electron–phonon models
  ☆36Updated 2 weeks ago
• libmbd / libmbd
  Many-body dispersion library
  ☆56Updated last year
• fkfest / NECI_STABLE
  Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.
  ☆49Updated 2 years ago
• ltalirz / asetk
  Toolkit using the Atomistic Simulation Environment (ASE)
  ☆20Updated 5 years ago
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆88Updated 3 months ago
• dceresoli / ce-tddft
  Real-time TDDFT for Quantum-Espresso
  ☆24Updated 2 years ago
• dftlibs / xcfun
  XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives
  ☆61Updated 2 years ago