evaleev / libintLinks
Libint: high-performance library for computing Gaussian integrals in quantum mechanics
☆252Updated 2 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☆236Updated 2 months ago
- Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic st…☆362Updated last week
- Domain specific library for electronic structure calculations☆155Updated last week
- Quantum Package : a programming environment for wave function methods☆77Updated this week
- DFTB+ general package for performing fast atomistic simulations☆396Updated 2 weeks ago
- C library for finding and handling crystal symmetries☆340Updated this week
- The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time i…☆75Updated 2 years ago
- The official OpenMolcas repository is at https://gitlab.com/Molcas/OpenMolcas, this is only a mirror. OpenMolcas is a quantum chemistry s…☆65Updated 2 weeks ago
- molecular point group symmetry lib☆88Updated last year
- The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…☆244Updated last month
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆200Updated last month
- A repository for quantum chemistry basis sets☆184Updated this week
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆49Updated 2 years ago
- 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
- Combining Psi4 and Numpy for education and development.☆380Updated last year
- A Toolbox for Research on Interacting Quantum Systems. Supported by the Flatiron Institute.☆163Updated 2 weeks ago
- TREX I/O library☆61Updated last month
- This is the official GPL repository of the yambo code☆121Updated last week
- Brilliantly Advanced General Electronic-structure Library☆116Updated 7 months ago
- Official repository of the Wannier90 code☆288Updated 6 months ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆71Updated 3 months ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆83Updated last year
- ☆51Updated 2 months ago
- ERKALE -- HF/DFT from Hel☆52Updated this week
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆44Updated last month
- Periodic table, physical constants, and molecule parsing for quantum chemistry.☆176Updated 3 weeks ago
- Open source stochastic quantum chemistry☆76Updated last week
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆45Updated 3 months ago
- ☆58Updated 4 months ago
- MolSSI Integral Reference Project☆26Updated 4 years ago