Linear Scaling Electronic Structure
☆13Jan 3, 2017Updated 9 years ago
Alternatives and similar repositories for freeon
Users that are interested in freeon are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- Libint2 interface to Julia☆14Sep 10, 2020Updated 6 years ago
- Repository for PseudopotentialLibrary.org website and database☆19Sep 24, 2026Updated 3 weeks ago
- A place to store information for the tensor discussions and possible specifications.☆24Jun 17, 2026Updated 4 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- 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
- Quantum Chemistry Teaching Labs and Exercises☆12Aug 16, 2022Updated 4 years ago
- ☆12Jun 11, 2026Updated 4 months ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 3 years ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆62Nov 30, 2022Updated 3 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated 2 years ago
- ASE density-functional tight-binding calculator☆69Jan 23, 2025Updated last year
- ☆24Sep 9, 2026Updated last month
- Library for local orbital scaling correction (LOSC).☆19Jul 4, 2024Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time i…☆81Aug 8, 2023Updated 3 years ago
- Registry for Molecular Simulation Packages☆11Dec 16, 2022Updated 3 years ago
- A Python package for wave function-based quantum embedding☆50Updated this week
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆26Nov 7, 2025Updated 11 months ago
- A modern C++ library for high-performance configuration interaction methods☆23Apr 27, 2026Updated 5 months ago
- Donostia Natural Orbital Functional Software☆31May 18, 2026Updated 5 months ago
- The public repository of the Chronus Quantum (ChronusQ) Software Package☆30Sep 11, 2026Updated last month
- moved to https://github.com/Zhaoyilunnn/qdao☆10Aug 30, 2023Updated 3 years ago
- Set of tools for trexio files☆20Oct 12, 2026Updated last week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 3 years ago
- An optimized libcint branch for X86 architecture☆32Nov 17, 2025Updated 11 months ago
- An open source program for the description of metastable electronic states in molecules.☆25Updated this week
- QUICK, a GPU-enabled ab intio quantum chemistry software. Now move to the main branch: https://github.com/merzlab/QUICK☆11Jan 19, 2015Updated 11 years ago
- Ab initio quantum chemistry in Rust from scratch☆17Updated this week
- QuAcK: a software for emerging quantum electronic structure methods☆34Updated this week
- MolSSI Integral Reference Project☆30Feb 27, 2021Updated 5 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆34Jul 10, 2022Updated 4 years ago
- Computational graph states for variational monte carlo☆17Jul 21, 2019Updated 7 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- This is a mirror. Please check our main website on gitlab.☆36Jan 14, 2026Updated 9 months ago
- GPS plugin for NetKet (www.netket.org), introducing new models, optimizers and Fermionic functionality.☆20Nov 24, 2025Updated 10 months ago
- SALMON 2.0.0 Development Repository☆18Updated this week
- ☆23Updated this week
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated last year
- Calculate observables from neural network-based VMC (NN-VMC).☆19Apr 16, 2025Updated last year
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆109Feb 11, 2025Updated last year