Alternatives and similar repositories for IntegratorXX

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

• wavefunction91 / GauXC
  GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …
  ☆35Updated last month
• wavefunction91 / MACIS
  A modern C++ library for high-performance configuration interaction methods
  ☆16Updated last week
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆27Updated this week
• robashaw / libecpint
  A C++ library for the efficient evaluation of integrals over effective core potentials.
  ☆28Updated last year
• ValeevGroup / libintx
  ☆20Updated 3 weeks ago
• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆51Updated 9 months ago
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆28Updated 2 years ago
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆44Updated this week
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆23Updated 4 months ago
• wasserman-group / n2v
  n2v: Density-to-potential Inversion Suite
  ☆23Updated 2 years ago
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆41Updated last month
• edeprince3 / hilbert
  ☆16Updated this week
• CrawfordGroup / pycc
  PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
  ☆52Updated last week
• qcserenity / serenity
  The release-only repository of the subsystem focused quantum chemistry code Serenity
  ☆34Updated 2 months ago
• jeanwsr / pyAutoMR
  Automatic MR based on PySCF
  ☆14Updated last month
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆33Updated 2 months ago
• psi4 / gau2grid
  Fast computation of a gaussian and its derivative on a grid.
  ☆30Updated 3 weeks ago
• evangelistalab / forte
  ☆58Updated last week
• TREX-CoE / trexio
  TREX I/O library
  ☆53Updated this week
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆16Updated last year
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆36Updated last week
• evangelistalab / fortecubeview
  A simple cube file viewer based on pythreejs
  ☆24Updated last year
• BoothGroup / dyson
  Dyson equation solvers for Green's function methods
  ☆10Updated last month
• mickcollins / SMFAPAC
  systematic molecular fragmentation by annihilation
  ☆11Updated 5 years ago
• PCMSolver / pcmsolver
  An API for the Polarizable Continuum Model
  ☆34Updated 2 years ago
• susilehtola / OpenOrbitalOptimizer
  Open Orbital Optimizer
  ☆24Updated last week
• dftlibs / numgrid
  Numerical integration grid for molecules.
  ☆50Updated 8 months ago
• filippi-claudia / champ
  The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …
  ☆20Updated 2 weeks ago
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆34Updated last week
• ExaChem / exachem
  Open Source Exascale Computational Chemistry Software
  ☆25Updated this week