jturney / ambitLinks
C++ library for the implementation of tensor product calculations through a clean, concise user interface.
☆23Updated last year
Alternatives and similar repositories for ambit
Users that are interested in ambit are comparing it to the libraries listed below
Sorting:
- Reusable DFT Grids for the Masses☆16Updated last year
- MolSSI Integral Reference Project☆25Updated 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, …☆34Updated 2 weeks ago
- MultiResolution Chemistry☆33Updated 3 weeks ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆42Updated 2 months ago
- optking: A molecular geometry optimization program☆23Updated 3 months ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆52Updated last month
- C++ and Python library for Polarizable Embedding☆22Updated 9 months ago
- ☆58Updated 2 weeks ago
- TREX I/O library☆51Updated 2 weeks ago
- An API for the Polarizable Continuum Model☆33Updated 2 years ago
- A modern C++ library for high-performance configuration interaction methods☆16Updated 2 months ago
- Open source stochastic quantum chemistry☆74Updated last month
- ☆20Updated 5 months ago
- Set of quantum chemistry programs and libraries☆44Updated 4 years ago
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Updated 11 months ago
- Fast computation of a gaussian and its derivative on a grid.☆30Updated last week
- Coupled-cluster package written in Python.☆39Updated 2 weeks ago
- ERKALE -- HF/DFT from Hel☆50Updated 3 weeks ago
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆21Updated 2 months ago
- This is a mirror. Please check our main website on gitlab.☆29Updated 3 weeks ago
- An optimized libcint branch for X86 architecture☆28Updated last month
- Numerical integration grid for molecules.☆50Updated 7 months ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆49Updated 8 months ago
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated this week
- A simple cube file viewer based on pythreejs☆24Updated last year
- Aquarius is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor …☆28Updated last year
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆60Updated 2 years ago
- Developer repository for the LATTE code☆43Updated last month