Alternatives and similar repositories for simint-generator

Users that are interested in simint-generator are comparing it to the libraries listed below

• wavefunction91 / MACIS
  A modern C++ library for high-performance configuration interaction methods
  ☆18Updated 2 months ago
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆34Updated 2 weeks 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, …
  ☆36Updated this week
• wavefunction91 / IntegratorXX
  Reusable DFT Grids for the Masses
  ☆16Updated last week
• wavefunction91 / ExchCXX
  Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++
  ☆22Updated last month
• ExaChem / exachem
  Open Source Exascale Computational Chemistry Software
  ☆28Updated this week
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆23Updated 3 weeks ago
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆44Updated 2 months ago
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆16Updated last year
• DoNOF / DoNOFsw
  Donostia Natural Orbital Functional Software
  ☆20Updated 2 weeks ago
• robashaw / libecpint
  A C++ library for the efficient evaluation of integrals over effective core potentials.
  ☆28Updated last year
• TREX-CoE / trexio
  TREX I/O library
  ☆60Updated this week
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆17Updated last year
• susilehtola / HelFEM
  Finite element methods for electronic structure calculations on small systems
  ☆41Updated 2 months ago
• grimme-lab / mctc-lib
  Modular computation tool chain library
  ☆19Updated last week
• PCMSolver / pcmsolver
  An API for the Polarizable Continuum Model
  ☆35Updated 2 years ago
• CrawfordGroup / pycc
  PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
  ☆52Updated 2 months ago
• hande-qmc / hande
  Open source stochastic quantum chemistry
  ☆76Updated 2 months ago
• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆54Updated 2 months ago
• dftlibs / numgrid
  Numerical integration grid for molecules.
  ☆50Updated 3 weeks ago
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆37Updated last month
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆82Updated last year
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆31Updated 2 years ago
• dftlibs / xcfun
  XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives
  ☆60Updated 2 years ago
• intception-code-generator / intception
  A molecular integral code generator
  ☆12Updated 9 years ago
• LLNL / inq
  This is a mirror. Please check our main website on gitlab.
  ☆28Updated this week
• maxscheurer / cppe
  C++ and Python library for Polarizable Embedding
  ☆22Updated 3 weeks ago
• susilehtola / OpenOrbitalOptimizer
  Open Orbital Optimizer
  ☆26Updated last month
• libmbd / libmbd
  Many-body dispersion library
  ☆56Updated 11 months ago
• MolSSI / MIRP
  MolSSI Integral Reference Project
  ☆26Updated 4 years ago