evaleev / libintLinks
Libint: high-performance library for computing Gaussian integrals in quantum mechanics
☆244Updated 3 weeks ago
Alternatives and similar repositories for libint
Users that are interested in libint are comparing it to the libraries listed below
Sorting:
- general GTO integrals for quantum chemistry☆224Updated last month
- Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic st…☆335Updated this week
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆184Updated last week
- The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time i…☆70Updated last year
- DFTB+ general package for performing fast atomistic simulations☆363Updated last week
- Combining Psi4 and Numpy for education and development.☆367Updated last year
- Domain specific library for electronic structure calculations☆144Updated last week
- C library for finding and handling crystal symmetries☆317Updated last week
- i-PI: a universal force engine☆260Updated last week
- Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.☆155Updated last year
- A repository for quantum chemistry basis sets☆172Updated 3 months ago
- Official repository of the Wannier90 code☆271Updated last month
- Official mirror of Quantum ESPRESSO☆48Updated 7 years ago
- molecular point group symmetry lib☆85Updated 9 months ago
- The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…☆223Updated 3 months ago
- Brilliantly Advanced General Electronic-structure Library☆106Updated 2 months ago
- Quantum Package : a programming environment for wave function methods☆74Updated 3 weeks ago
- NWChem: Open Source High-Performance Computational Chemistry☆545Updated last week
- Periodic table, physical constants, and molecule parsing for quantum chemistry.☆162Updated 2 weeks ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆70Updated 3 weeks ago
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆97Updated 3 months ago
- This is a simple script to plot energy profile diagrams using Python and matplotlib.☆164Updated last year
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated 11 months ago
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆40Updated this week
- ERKALE -- HF/DFT from Hel☆50Updated 3 weeks ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆45Updated last year
- This is the official GPL repository of the yambo code☆111Updated this week
- Open source stochastic quantum chemistry☆74Updated last month
- a Toolbox for Research on Interacting Quantum Systems☆156Updated last week
- WannierTools: An open-source software package for novel topological materials. Full documentation:☆281Updated last week