jturney / ambitLinks
C++ library for the implementation of tensor product calculations through a clean, concise user interface.
☆25Updated 2 years ago
Alternatives and similar repositories for ambit
Users that are interested in ambit are comparing it to the libraries listed below
Sorting:
- MolSSI Integral Reference Project☆26Updated 4 years ago
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆36Updated 3 weeks ago
- TREX I/O library☆61Updated 3 weeks ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆45Updated 2 months ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆53Updated 3 months ago
- Open source stochastic quantum chemistry☆76Updated last week
- Reusable DFT Grids for the Masses☆16Updated 3 weeks ago
- Numerical integration grid for molecules.☆50Updated last month
- optking: A molecular geometry optimization program☆23Updated last month
- ☆59Updated 3 months ago
- ☆22Updated last week
- C++ and Python library for Polarizable Embedding☆22Updated last month
- A modern C++ library for high-performance configuration interaction methods☆18Updated 3 months ago
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆24Updated last week
- An API for the Polarizable Continuum Model☆35Updated 2 years ago
- ERKALE -- HF/DFT from Hel☆51Updated 3 months ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆61Updated 2 years ago
- MultiResolution Chemistry☆34Updated 3 weeks ago
- Open Source Exascale Quantum Chemistry Software☆28Updated this week
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Updated last year
- An optimized libcint branch for X86 architecture☆29Updated last month
- Donostia Natural Orbital Functional Software☆20Updated last month
- Coupled-cluster package written in Python.☆46Updated 2 months ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆83Updated last year
- Set of quantum chemistry programs and libraries☆44Updated 4 years ago
- Library for local orbital scaling correction (LOSC).☆16Updated last year
- Brilliantly Advanced General Electronic-structure Library☆115Updated 6 months ago
- Open Orbital Optimizer☆28Updated last month
- A Python package for wave function-based quantum embedding☆35Updated last week