simint-chem / simint-generatorLinks
Code generator for simint vectorized integrals
☆28Updated 2 years ago
Alternatives and similar repositories for simint-generator
Users that are interested in simint-generator are comparing it to the libraries listed below
Sorting:
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆39Updated last week
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆24Updated 3 weeks ago
- Reusable DFT Grids for the Masses☆17Updated last month
- A modern C++ library for high-performance configuration interaction methods☆18Updated this week
- MultiResolution Chemistry☆36Updated last week
- Open Source Exascale Quantum Chemistry Software☆28Updated last week
- optking: A molecular geometry optimization program☆25Updated 2 months ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆45Updated 3 months ago
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Updated last year
- Library for local orbital scaling correction (LOSC).☆16Updated last year
- TREX I/O library☆61Updated last month
- An API for the Polarizable Continuum Model☆35Updated 2 years ago
- Open source stochastic quantum chemistry☆76Updated 2 weeks ago
- Donostia Natural Orbital Functional Software☆20Updated last month
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆53Updated 3 months ago
- Numerical integration grid for molecules.☆50Updated 2 months ago
- MolSSI Integral Reference Project☆26Updated 4 years ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆61Updated 2 years ago
- Many-body dispersion library☆56Updated last year
- Finite element methods for electronic structure calculations on small systems☆41Updated 4 months ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆83Updated last year
- adcc: Seamlessly connect your program to ADC☆38Updated 3 weeks ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆55Updated 3 weeks ago
- ☆22Updated 3 weeks ago
- C++ and Python library for Polarizable Embedding☆22Updated 2 months ago
- Cornell-Holland Ab-initio Materials Package☆17Updated last year
- An optimized libcint branch for X86 architecture☆29Updated 2 months ago
- Modular computation tool chain library☆19Updated last month
- A fast domain decomposition based implementation of the COSMO solvation model☆15Updated 5 years ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆27Updated 8 months ago