A C++ library for evaluating non-orthogonal matrix elements in electronic structure
☆28Feb 19, 2025Updated last year
Alternatives and similar repositories for libgnme
Users that are interested in libgnme are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 3 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
- OpenRSP: open-ended response theory.☆17Aug 16, 2020Updated 6 years ago
- Dyson equation solvers for Green's function methods☆12Jul 6, 2026Updated 3 months ago
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated last year
- 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.
- Open Orbital Optimizer☆39Aug 26, 2026Updated 2 months ago
- ☆15Aug 3, 2026Updated 3 months ago
- PyMES is a package for developing new methods in quantum chemistry.☆14May 8, 2026Updated 5 months ago
- A general implementation of cosmo-sac models☆10Feb 26, 2021Updated 5 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆35Updated this week
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 3 years ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated 2 years ago
- gammcor code☆12Oct 22, 2026Updated last week
- Reusable DFT Grids for the Masses☆21Oct 12, 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.
- Symbolic manipulation of operator strings for quantum chemistry☆23Jan 10, 2023Updated 3 years ago
- ☆19Jul 25, 2022Updated 4 years ago
- SOC integrals generator with atomic mean field approximation☆12Apr 26, 2026Updated 6 months ago
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Jun 22, 2026Updated 4 months ago
- GPU-accelerated coupled cluster with density fitting☆19Jun 26, 2018Updated 8 years ago
- MPI parallelization for PySCF☆38Nov 1, 2024Updated 2 years ago
- MRH's research code☆35Updated this week
- PySCF with auto-differentiation☆117Updated this week
- Monte Carlo Configuration Interaction program☆12Mar 22, 2014Updated 12 years 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.
- adcc: Seamlessly connect your program to ADC☆42Updated this week
- ☆19Updated this week
- Coupled-cluster package written in Python.☆53May 28, 2026Updated 5 months ago
- Donostia Natural Orbital Functional Software☆31May 18, 2026Updated 5 months ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated 2 years ago
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 10 months ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆90Jun 8, 2024Updated 2 years ago
- **ARCHIVED — development moved to github.com/fevangelista/wickd**☆55Aug 28, 2026Updated 2 months ago
- Notes on Electronic Structure Theory (CHEM532)☆26Feb 14, 2025Updated last year
- 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.
- Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.☆73Sep 30, 2026Updated last month
- Numerical integration grid for molecules.☆52Aug 17, 2026Updated 2 months ago
- ☆18Aug 18, 2026Updated 2 months ago
- ☆11Mar 13, 2021Updated 5 years ago
- An open source program for the description of metastable electronic states in molecules.☆25Oct 20, 2026Updated 2 weeks ago
- decodense: Atom- and orbital-wise decompositions of mean-field molecular properties.☆14Oct 15, 2026Updated 2 weeks ago
- ☆39Sep 26, 2025Updated last year