Alternatives and similar repositories for MACIS:

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

• wavefunction91 / IntegratorXX
  Reusable DFT Grids for the Masses
  ☆13Updated last year
• wavefunction91 / GauXC
  GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …
  ☆29Updated 3 months ago
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆24Updated 3 weeks ago
• wavefunction91 / ExchCXX
  Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++
  ☆18Updated last week
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆28Updated last year
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆30Updated last month
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆16Updated 6 months ago
• ValeevGroup / libintx
  ☆19Updated last month
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆15Updated 5 months ago
• ExaChem / exachem
  Open Source Exascale Computational Chemistry Software
  ☆25Updated this week
• BoothGroup / dyson
  Dyson equation solvers for electron propagator methods
  ☆10Updated 3 weeks ago
• filippi-claudia / champ
  The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …
  ☆18Updated 2 months ago
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆40Updated last month
• QMCPACK / pseudopotentiallibrary
  Repository for PseudopotentialLibrary.org website and database
  ☆14Updated 6 months ago
• obackhouse / gmtkn
  GMTKN test sets in python
  ☆10Updated 3 years ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆26Updated last year
• sunqm / pbchf
  An example to implement PBC SCF
  ☆13Updated 6 years ago
• aakunitsa / GW-approximation
  Reference implementation of GW
  ☆13Updated 5 years ago
• nomad-coe / greenX
  Library for Green’s function based electronic structure theory calculations
  ☆22Updated last month
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆22Updated last week
• ebylaska / PWDFT
  Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software
  ☆15Updated last week
• mickcollins / SMFAPAC
  systematic molecular fragmentation by annihilation
  ☆11Updated 5 years ago
• wasserman-group / n2v
  n2v: Density-to-potential Inversion Suite
  ☆22Updated 2 years ago
• cc4s / cc4s
  Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
  ☆19Updated 6 months ago
• sanshar / VMC
  ☆17Updated 2 years ago
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆22Updated 8 months ago
• LLNL / inq
  This is a mirror. Please check our main website on gitlab.
  ☆27Updated this week
• UFParLab / aces4
  Parallel Computational Chemistry Application
  ☆18Updated 7 years ago
• PCMSolver / pcmsolver
  An API for the Polarizable Continuum Model
  ☆33Updated last year
• edeprince3 / hilbert
  ☆13Updated 5 months ago