devinamatthews / aquariusLinks
Aquarius is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor operations. Aquarius is primarily focused on iterative methods such as CC, CI, and EOMCC.
☆28Updated last year
Alternatives and similar repositories for aquarius
Users that are interested in aquarius are comparing it to the libraries listed below
Sorting:
- Quantum Monte Carlo Kernel Library☆38Updated this week
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- Finite element methods for electronic structure calculations on small systems☆41Updated 3 weeks ago
- GW100 data repository and post processing tools☆14Updated last year
- This is a mirror. Please check our main website on gitlab.☆29Updated last week
- Library for Green’s function based electronic structure theory calculations☆28Updated last week
- Donostia Natural Orbital Functional Software☆20Updated 3 weeks ago
- Open source stochastic quantum chemistry☆76Updated 3 weeks ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆27Updated 9 months ago
- TREX I/O library☆61Updated 2 months ago
- C++ library for the implementation of tensor product calculations through a clean, concise user interface.☆25Updated 2 years ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated this week
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆40Updated this week
- Library for local orbital scaling correction (LOSC).☆16Updated last year
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆22Updated 2 weeks ago
- Mathematica modules for electronic structure calculations☆36Updated 2 years ago
- A modern C++ library for high-performance configuration interaction methods☆19Updated last month
- MolSSI Integral Reference Project☆26Updated 4 years ago
- MultiResolution Chemistry☆36Updated 2 weeks ago
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆27Updated last month
- ERKALE -- HF/DFT from Hel☆52Updated 3 weeks ago
- Quantum Package : a programming environment for wave function methods☆77Updated this week
- Coupled-cluster package written in Python.☆46Updated 3 weeks ago
- ☆24Updated 2 weeks ago
- Dyson equation solvers for Green's function methods☆10Updated 2 weeks ago
- OpenRSP: open-ended response theory.☆16Updated 5 years ago
- Materials used in a school on QMC methods☆26Updated 6 years ago
- A Python package for wave function-based quantum embedding☆37Updated last month
- Reference implementation of GW☆13Updated 6 years ago
- The exciting code is a powerful open-source DFT package targeted to scientific developers and users that need a modern and adaptable plat…☆65Updated last month