☆19Aug 9, 2026Updated 3 weeks ago
Alternatives and similar repositories for socutils
Users that are interested in socutils are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- SOC integrals generator with atomic mean field approximation☆11Apr 26, 2026Updated 4 months ago
- Python bindings for TBLIS☆19Aug 16, 2026Updated 2 weeks ago
- A Reusable Library for Second-Order Trust Region Orbital Optimization☆22May 26, 2026Updated 3 months ago
- Software package to handle the many-fermionic operator☆16Jul 30, 2013Updated 13 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆36Oct 27, 2025Updated 10 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.
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆14Oct 29, 2025Updated 10 months ago
- C++17 Wrapper for ScaLAPACK☆11Oct 5, 2023Updated 2 years ago
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated last year
- ☆11Mar 13, 2021Updated 5 years ago
- An implementation of the Three-Legged Tree Tensor Network algorithm☆15Sep 15, 2021Updated 4 years ago
- Open Orbital Optimizer☆38Updated this week
- A library of density matrix embedding theory (DMET).☆43Jan 26, 2025Updated last year
- ☆62Mar 2, 2026Updated 5 months ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆40Aug 23, 2026Updated last week
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆56May 18, 2026Updated 3 months ago
- Brilliantly Advanced General Electronic-structure Library☆124Mar 31, 2025Updated last year
- ☆71Jun 15, 2025Updated last year
- Python implementation of electronic structure theories for simulating spectroscopic properties☆25Updated this week
- Program for Molecular Fock Dirac calculations☆12Apr 16, 2020Updated 6 years ago
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 6 years ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆67Updated this week
- TREX I/O library☆73Aug 24, 2026Updated last week
- 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.
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆54Updated this week
- public version of our general contraction code project☆11Jan 26, 2026Updated 7 months ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆126Aug 10, 2026Updated 3 weeks ago
- ☆19Jul 25, 2022Updated 4 years ago
- ERKALE -- HF/DFT from Hel☆54Aug 15, 2026Updated 2 weeks ago
- MRH's research code☆33Updated this week
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 3 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated 2 years ago
- Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.☆72Jul 31, 2026Updated last month
- 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.
- I can't believe it's NonAbelian!☆33Updated this week
- Projectively-optimized geminal and "fancyCI" wavefunctions☆21Aug 18, 2022Updated 4 years ago
- Library for local orbital scaling correction (LOSC).☆19Jul 4, 2024Updated 2 years ago
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated last year
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 8 months ago
- Main repository for the CP-PAW code☆12Aug 16, 2026Updated 2 weeks ago