Alternatives and similar repositories for libcint:

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

• MolSSI-BSE / basis_set_exchange
  A repository for quantum chemistry basis sets
  ☆164Updated 3 weeks ago
• psi4 / psi4numpy
  Combining Psi4 and Numpy for education and development.
  ☆356Updated last year
• block-hczhai / block2-preview
  Efficient parallel quantum chemistry DMRG in MPO formalism
  ☆71Updated this week
• dftd4 / dftd4
  Generally Applicable Atomic-Charge Dependent London Dispersion Correction
  ☆173Updated last week
• SebWouters / CheMPS2
  CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
  ☆70Updated 2 years ago
• theochem / horton
  HORTON: Helpful Open-source Research TOol for N-fermion systems
  ☆95Updated last week
• evaleev / libint
  Libint: high-performance library for computing Gaussian integrals in quantum mechanics
  ☆234Updated last month
• i-pi / i-pi
  i-PI: a universal force engine
  ☆247Updated last month
• sunqm / pyscf
  Python module for quantum chemistry
  ☆72Updated this week
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆81Updated 8 months ago
• zerothi / sisl
  Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
  ☆203Updated this week
• edeprince3 / pdaggerq
  ☆50Updated 3 weeks ago
• MolSSI / QCElemental
  Periodic table, physical constants, and molecule parsing for quantum chemistry.
  ☆154Updated last month
• dftbplus / dftbplus
  DFTB+ general package for performing fast atomistic simulations
  ☆348Updated this week
• jeanwsr / S-O-MQC-HW
  Solutions for Modern Quantum Chemistry, Szabo & Ostlund
  ☆91Updated this week
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆126Updated last year
• theochem / tinydft
  A minimalistic atomic Density Functional Theory (DFT) code
  ☆128Updated last week
• rpmuller / pyquante2
  Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.
  ☆153Updated 10 months ago
• leeping / geomeTRIC
  Geometry optimization code that includes the TRIC coordinate system
  ☆170Updated 3 weeks ago
• fevangelista / wicked
  A Wick theorem kernel written in C++ and interfaced with Python
  ☆45Updated 2 weeks ago
• QuantumPackage / qp2
  Quantum Package : a programming environment for wave function methods
  ☆74Updated this week
• CompPhysVienna / n2p2
  n2p2 - A Neural Network Potential Package
  ☆232Updated this week
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆127Updated last month
• giacomomarchioro / PyEnergyDiagrams
  This is a simple script to plot energy profile diagrams using Python and matplotlib.
  ☆156Updated 9 months ago
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆177Updated 3 weeks ago
• evangelistalab / forte
  ☆55Updated this week
• sanshar / Dice
  ☆47Updated last month
• orbkit / orbkit
  A Toolbox for Post-Processing Quantum Chemical Wavefunction Data
  ☆91Updated 3 years ago
• yangjunjie0320 / hf-tutorial
  ☆36Updated 2 years ago
• spglib / spglib
  C library for finding and handling crystal symmetries
  ☆303Updated last week