C++ library for the implementation of tensor product calculations through a clean, concise user interface.
☆26Aug 22, 2023Updated 2 years ago
Alternatives and similar repositories for ambit
Users that are interested in ambit are comparing it to the libraries listed below
Sorting:
- optking: A molecular geometry optimization program☆26Aug 22, 2025Updated 6 months ago
- Code and other materials for the S2I2 Software Summer School☆12Mar 11, 2017Updated 8 years ago
- ☆60Jun 30, 2025Updated 8 months ago
- Fast computation of a gaussian and its derivative on a grid.☆31Sep 26, 2025Updated 5 months ago
- Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.☆68Updated this week
- MolSSI Integral Reference Project☆29Feb 27, 2021Updated 5 years ago
- Quantum Chemistry Laboratory package☆20Jun 22, 2022Updated 3 years ago
- Open source stochastic quantum chemistry☆79Dec 17, 2025Updated 2 months ago
- A simple cube file viewer based on pythreejs☆25Sep 4, 2023Updated 2 years ago
- A Wick theorem kernel written in C++ and interfaced with Python☆49Feb 1, 2025Updated last year
- Reusable DFT Grids for the Masses☆19Feb 6, 2026Updated 3 weeks ago
- C++ and Python library for Polarizable Embedding☆23Dec 15, 2025Updated 2 months ago
- http://guyrt.github.io/2015-06-21-s2i2/☆30Jun 23, 2015Updated 10 years ago
- Open Orbital Optimizer☆33Jan 25, 2026Updated last month
- Argonne Leadership Computing Facility OpenCL tutorial☆10Aug 22, 2025Updated 6 months ago
- TBLIS is a library and framework for performing tensor operations, especially tensor contraction, using efficient native algorithms.☆141Dec 4, 2025Updated 2 months ago
- ☆12Feb 20, 2025Updated last year
- Getting started docs, examples, tutorials, and use cases.☆11Jun 15, 2021Updated 4 years ago
- Source of BLAS via BLIS☆13May 6, 2024Updated last year
- SOC integrals generator with atomic mean field approximation☆10Jul 11, 2025Updated 7 months ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 2 years ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆56Jun 20, 2023Updated 2 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Mar 10, 2021Updated 4 years ago
- Molecular frequency-dependent response properties for arbitrary operators☆11Updated this week
- Program for Molecular Fock Dirac calculations☆12Apr 16, 2020Updated 5 years ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆57Jan 10, 2026Updated last month
- MultiResolution Computation Program Package☆13Jan 6, 2026Updated last month
- TREX I/O library☆64Feb 10, 2026Updated 3 weeks ago
- A fast domain decomposition based implementation of the COSMO solvation model☆16Jun 15, 2020Updated 5 years ago
- ☆13Feb 25, 2026Updated last week
- Databases and Interoperability in Quantum Chemistry☆13Feb 15, 2018Updated 8 years ago
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- An API for the Polarizable Continuum Model☆36May 31, 2023Updated 2 years ago
- C/Fortran interoperability library☆17May 24, 2019Updated 6 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- Python implementation of electronic structure theories for simulating spectroscopic properties☆21Updated this week
- A modern C++ library for high-performance configuration interaction methods☆19Feb 3, 2026Updated last month
- GPU-accelerated coupled cluster with density fitting☆18Jun 26, 2018Updated 7 years ago