Correlation consistent Gaussian basis sets for solids
☆25May 31, 2025Updated 9 months ago
Alternatives and similar repositories for ccgto
Users that are interested in ccgto are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- A Python package for wave function-based quantum embedding☆39Mar 14, 2026Updated 2 weeks ago
- Density matrix embedding theory for periodic systems☆18Dec 3, 2021Updated 4 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆24Nov 7, 2025Updated 4 months ago
- Library for local orbital scaling correction (LOSC).☆18Jul 4, 2024Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- GMTKN test sets in python☆11Dec 17, 2021Updated 4 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆36Oct 27, 2025Updated 5 months ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Jul 10, 2022Updated 3 years ago
- A library of density matrix embedding theory (DMET).☆38Jan 26, 2025Updated last year
- ☆19Jul 25, 2022Updated 3 years ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆39Feb 28, 2026Updated last month
- Realtime Extensions to PySCF (TDDFT etc.)☆11Sep 11, 2017Updated 8 years ago
- MPI parallelization for PySCF☆34Nov 1, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Repository for PseudopotentialLibrary.org website and database☆15Sep 17, 2025Updated 6 months ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 2 years ago
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- C++17 Wrapper for ScaLAPACK☆11Oct 5, 2023Updated 2 years ago
- Dyson equation solvers for Green's function methods☆12Feb 25, 2026Updated last month
- A fast domain decomposition based implementation of the COSMO solvation model☆16Jun 15, 2020Updated 5 years ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆61Nov 30, 2022Updated 3 years ago
- ☆13Mar 19, 2026Updated last week
- QuAcK: a software for emerging quantum electronic structure methods☆32Mar 22, 2026Updated last week
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Pythonic electronic structure theory.☆23Feb 28, 2026Updated last month
- Donostia Natural Orbital Functional Software☆24Mar 3, 2026Updated 3 weeks ago
- Fast computation of a gaussian and its derivative on a grid.☆31Sep 26, 2025Updated 6 months ago
- Main repository for the CP-PAW code☆12Mar 19, 2026Updated last week
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Oct 25, 2023Updated 2 years ago
- An open source program for the description of metastable electronic states in molecules.☆24Mar 10, 2026Updated 2 weeks ago
- SOC integrals generator with atomic mean field approximation☆10Jul 11, 2025Updated 8 months ago
- ☆11Nov 10, 2020Updated 5 years ago
- Personal collection of scripts to handle FHI-aims calculations.☆11May 26, 2024Updated last year
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- A Wick theorem kernel written in C++ and interfaced with Python☆49Feb 1, 2025Updated last year
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆25Jan 5, 2026Updated 2 months ago
- MOHA: MOlecular HAmiltonian☆15Sep 8, 2023Updated 2 years ago
- In-Class/Active-Learning Exercises for Quantum Chemistry☆17Aug 13, 2018Updated 7 years ago
- Ab initio electronic structure beyond density function theory☆31Mar 21, 2026Updated last week
- A modern C++ library for high-performance configuration interaction methods☆20Feb 3, 2026Updated last month
- ☆11Mar 13, 2021Updated 5 years ago