Open Orbital Optimizer
☆34Jan 25, 2026Updated last month
Alternatives and similar repositories for OpenOrbitalOptimizer
Users that are interested in OpenOrbitalOptimizer are comparing it to the libraries listed below
Sorting:
- Dyson equation solvers for Green's function methods☆12Feb 25, 2026Updated last week
- Coupled-cluster package written in Python.☆47Nov 17, 2025Updated 3 months ago
- n2v: Density-to-potential Inversion Suite☆24Aug 29, 2022Updated 3 years ago
- ☆13Feb 25, 2026Updated last week
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- QuAcK: a software for emerging quantum electronic structure methods☆30Mar 2, 2026Updated last week
- Python implementation of electronic structure theories for simulating spectroscopic properties☆21Updated this week
- gammcor code☆11Sep 25, 2025Updated 5 months ago
- Reusable DFT Grids for the Masses☆19Feb 6, 2026Updated last month
- QMC=Chem version 2☆20Dec 30, 2025Updated 2 months ago
- Donostia Natural Orbital Functional Software☆24Updated this week
- Benchmark data for density-functional theory method development.☆18Nov 26, 2025Updated 3 months ago
- Ab Initio Energies☆10Nov 22, 2025Updated 3 months ago
- Multi-collinear functional☆10Feb 12, 2026Updated 3 weeks ago
- Set of tools for trexio files☆19Oct 27, 2025Updated 4 months ago
- C++ and Python library for Polarizable Embedding☆23Dec 15, 2025Updated 2 months ago
- Geometrical Counter-Poise Correction☆13Nov 19, 2024Updated last year
- ☆12Feb 20, 2025Updated last year
- Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in…☆21Feb 23, 2026Updated 2 weeks ago
- SOC integrals generator with atomic mean field approximation☆10Jul 11, 2025Updated 7 months ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Mar 10, 2021Updated 4 years ago
- adcc: Seamlessly connect your program to ADC☆39Updated this week
- Symbolic manipulation of operator strings for quantum chemistry