A modern C++ library for high-performance configuration interaction methods
☆23Apr 27, 2026Updated 6 months ago
Alternatives and similar repositories for MACIS
Users that are interested in MACIS are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated 2 years ago
- Coupled cluster models for both purely electron and coupled electron-boson models, with a focus on generality and model extensibility.☆13Apr 16, 2026Updated 6 months ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆25Sep 14, 2026Updated last month
- Monte Carlo Configuration Interaction program☆12Mar 22, 2014Updated 12 years ago
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- PyMES is a package for developing new methods in quantum chemistry.☆14May 8, 2026Updated 5 months ago
- ☆18Aug 18, 2026Updated 2 months ago
- ☆19Jul 25, 2022Updated 4 years ago
- davidson iterative diagonalizer☆12Jun 30, 2021Updated 5 years ago
- Mathematica modules for electronic structure calculations☆36Aug 30, 2023Updated 3 years ago
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆19May 17, 2021Updated 5 years ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 3 years ago
- Reusable DFT Grids for the Masses☆20Oct 12, 2026Updated 2 weeks ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆37Oct 27, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- high-performance accurate quantum many-body and quantum chemistry calculations☆29Sep 29, 2026Updated last month
- QuAcK: a software for emerging quantum electronic structure methods☆34Updated this week
- ☆30Nov 5, 2025Updated 11 months ago
- ☆63Mar 2, 2026Updated 7 months ago
- Repository for PseudopotentialLibrary.org website and database☆19Sep 24, 2026Updated last month
- ☆73Jun 15, 2025Updated last year
- The public repository of the Chronus Quantum (ChronusQ) Software Package☆31Sep 11, 2026Updated last month
- decodense: Atom- and orbital-wise decompositions of mean-field molecular properties.☆14Oct 15, 2026Updated 2 weeks ago
- Spin-projected Unrestricted Hartree-Fock program☆10Jul 1, 2026Updated 3 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆54Sep 23, 2026Updated last month
- Coupled-cluster package written in Python.☆53May 28, 2026Updated 5 months ago
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆29Jun 12, 2026Updated 4 months ago
- Quantum Package : a programming environment for wave function methods☆80Oct 22, 2026Updated last week
- Fast computation of a gaussian and its derivative on a grid.☆32May 20, 2026Updated 5 months ago
- Quantum Chemistry Teaching Labs and Exercises☆12Aug 16, 2022Updated 4 years ago
- ☆12Jun 11, 2026Updated 4 months ago
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆71Sep 3, 2026Updated last month
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A molecular integral code generator☆12Feb 7, 2016Updated 10 years ago
- Multi-collinear functional☆11Feb 12, 2026Updated 8 months ago
- Donostia Natural Orbital Functional Software☆31May 18, 2026Updated 5 months ago
- Quantum Monte Carlo package, TurboRVB☆33Nov 25, 2025Updated 11 months ago
- A Reusable Library for Second-Order Trust Region Orbital Optimization☆24Updated this week
- ☆66Oct 15, 2026Updated 2 weeks ago
- Reference implementation of GW☆13Jul 22, 2019Updated 7 years ago