ak-ustutt / GeCCo-publicView external linksLinks
public version of our general contraction code project
☆11Jan 26, 2026Updated 2 weeks ago
Alternatives and similar repositories for GeCCo-public
Users that are interested in GeCCo-public are comparing it to the libraries listed below
Sorting:
- SOC integrals generator with atomic mean field approximation☆10Jul 11, 2025Updated 7 months ago
- A very simple quantum chemistry program☆10Jan 4, 2019Updated 7 years ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆20Feb 5, 2026Updated last week
- ☆13Jan 21, 2026Updated 3 weeks ago
- I can't believe it's NonAbelian!☆31Jan 5, 2026Updated last month
- Aquarius is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor …☆28Mar 6, 2024Updated last year
- RPMD and rate constant calculations on black-box potential energy surfaces☆15Feb 3, 2026Updated last week
- A Wick theorem kernel written in C++ and interfaced with Python☆49Feb 1, 2025Updated last year
- ☆11Mar 13, 2021Updated 4 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆30Updated this week
- Quantum Package : a programming environment for wave function methods☆78Updated this week
- ☆12Feb 20, 2025Updated 11 months ago
- PyMES is a package for developing new methods in quantum chemistry.☆13Jan 29, 2026Updated 2 weeks ago
- Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in…☆20Jan 26, 2026Updated 2 weeks ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆34Oct 27, 2025Updated 3 months ago
- An interface program between Gaussian and CFour.☆13Sep 18, 2023Updated 2 years ago
- ☆11Aug 27, 2024Updated last year
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 2 years ago
- A standalone library of the GFN-FF method. Extracted in large parts from the xtb program.☆16Jan 27, 2025Updated last year
- ☆60Jun 30, 2025Updated 7 months ago
- A python script to obtain XYG3-type doubly hybrid (xDH) results using the standard Gaussian xx package (xx=03, 09 and/or 16)☆15Sep 21, 2022Updated 3 years ago
- Reference implementation of GW☆13Jul 22, 2019Updated 6 years ago
- A modern C++ library for high-performance configuration interaction methods☆19Feb 3, 2026Updated last week
- Python tools for quantum chemical calculations☆21Jan 19, 2024Updated 2 years ago
- The EXP-T program package is designed for high-precision modeling of molecular electronic structure using the relativistic Fock space mul…☆20Jun 10, 2025Updated 8 months ago
- Coupled-cluster package written in Python.☆47Nov 17, 2025Updated 2 months ago
- Donostia Natural Orbital Functional Software☆22Jan 22, 2026Updated 3 weeks ago
- This is obsolete. Use this:☆21Aug 6, 2016Updated 9 years ago
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated 10 months ago
- efficient TDDFT-ris based on MOKIT and PySCF☆20Jan 18, 2026Updated 3 weeks ago
- Julia implementation of various electron-correlation methods (main focus on coupled cluster methods).☆22Feb 5, 2026Updated last week
- ☆25Nov 5, 2025Updated 3 months ago
- ☆55Sep 12, 2024Updated last year
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated 11 months ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆57Jan 10, 2026Updated last month
- Python implementation of the DMRG algorithm for the Taipei DMRG Winter School☆57Dec 6, 2012Updated 13 years ago
- ☆31Apr 16, 2018Updated 7 years ago
- Amons-based quantum machine learning for quantum chemistry☆25Nov 4, 2025Updated 3 months ago
- A symbolic algebra system for tensorial and noncommutative algebras☆28Feb 1, 2026Updated last week