Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
☆36Oct 27, 2025Updated 10 months ago
Alternatives and similar repositories for shci
Users that are interested in shci 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
- ☆19Jul 25, 2022Updated 4 years ago
- ☆71Jun 15, 2025Updated last year
- ☆11Mar 13, 2021Updated 5 years ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆57May 18, 2026Updated 3 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Software package to handle the many-fermionic operator☆16Jul 30, 2013Updated 13 years ago
- ☆19Aug 9, 2026Updated 3 weeks ago
- SOC integrals generator with atomic mean field approximation☆11Apr 26, 2026Updated 4 months ago
- Donostia Natural Orbital Functional Software☆28May 18, 2026Updated 3 months ago
- A modern C++ library for high-performance configuration interaction methods☆21Apr 27, 2026Updated 4 months ago
- Repository for PseudopotentialLibrary.org website and database☆19Jun 29, 2026Updated 2 months ago
- A library of density matrix embedding theory (DMET).☆43Jan 26, 2025Updated last year
- ☆62Mar 2, 2026Updated 6 months ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆126Aug 10, 2026Updated 3 weeks ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Python library for real space quantum Monte Carlo☆101Aug 27, 2026Updated last week
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated last year
- ☆55Sep 12, 2024Updated last year
- ☆36Updated this week
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆40Aug 23, 2026Updated 2 weeks ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆25Updated this week
- QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry☆51Mar 31, 2026Updated 5 months ago
- C++ implemented Coordinate Descent Full Configuration Interaction (CDFCI) package for quantum chemistry calculation.☆20May 15, 2026Updated 3 months ago
- Python bindings for TBLIS☆19Aug 16, 2026Updated 3 weeks ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Density matrix embedding theory for periodic systems☆20Dec 3, 2021Updated 4 years ago
- Tensor Framework for Cyclic Symmetry☆18Aug 30, 2022Updated 4 years ago
- Materials used in a school on QMC methods☆25Aug 1, 2019Updated 7 years ago
- Davidson eigensolver implemented in Fortran☆17Feb 12, 2020Updated 6 years ago
- A molecular integral code generator☆12Feb 7, 2016Updated 10 years ago
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 8 months ago
- Mathematica modules for electronic structure calculations☆36Aug 30, 2023Updated 3 years ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆55Aug 25, 2026Updated last week
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆11Jun 11, 2026Updated 2 months ago
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆14Oct 29, 2025Updated 10 months ago
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated last year
- DMRG and DMRGSCF☆14Mar 8, 2024Updated 2 years ago
- C++17 Wrapper for ScaLAPACK☆11Oct 5, 2023Updated 2 years ago
- I can't believe it's NonAbelian!☆33Updated this week
- Gauge-including magnetically induced currents.☆33Dec 7, 2023Updated 2 years ago