Library for local orbital scaling correction (LOSC).
☆18Jul 4, 2024Updated last year
Alternatives and similar repositories for losc
Users that are interested in losc are comparing it to the libraries listed below
Sorting:
- Donostia Natural Orbital Functional Software☆24Feb 9, 2026Updated 3 weeks ago
- ☆19Jul 25, 2022Updated 3 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- Dyson equation solvers for Green's function methods☆12Updated this week
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated 9 months ago
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated 11 months ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆24Nov 7, 2025Updated 3 months ago
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- MOHA: MOlecular HAmiltonian☆15Sep 8, 2023Updated 2 years ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 2 years ago
- ☆13Updated this week
- MultiResolution Chemistry☆40Feb 24, 2026Updated last week
- A simple cube file viewer based on pythreejs☆25Sep 4, 2023Updated 2 years ago
- A modern C++ library for high-performance configuration interaction methods☆19Feb 3, 2026Updated last month
- Python implementation of electronic structure theories for simulating spectroscopic properties☆21Updated this week
- gammcor code☆11Sep 25, 2025Updated 5 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆35Oct 27, 2025Updated 4 months ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆61Nov 30, 2022Updated 3 years ago
- ☆15Feb 16, 2026Updated 2 weeks ago
- Main repository for the CP-PAW code☆11Nov 4, 2025Updated 3 months ago
- Multi-collinear functional☆10Feb 12, 2026Updated 2 weeks ago
- Set of tools for trexio files☆19Oct 27, 2025Updated 4 months ago
- A Python package for wave function-based quantum embedding☆39Feb 17, 2026Updated 2 weeks ago
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- SOC integrals generator with atomic mean field approximation☆10Jul 11, 2025Updated 7 months ago
- Basis set optimization library for quantum chemistry☆36Jun 27, 2025Updated 8 months ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆46Feb 23, 2026Updated last week
- n2v: Density-to-potential Inversion Suite☆24Aug 29, 2022Updated 3 years ago
- ☆66Jun 15, 2025Updated 8 months ago
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Mar 10, 2021Updated 4 years ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- Quantum Chemistry Teaching Labs and Exercises☆11Aug 16, 2022Updated 3 years ago
- Molecular frequency-dependent response properties for arbitrary operators☆11Feb 22, 2026Updated last week
- ☆11Aug 27, 2024Updated last year
- Libint2 interface to Julia☆14Sep 10, 2020Updated 5 years ago
- GMTKN test sets in python☆11Dec 17, 2021Updated 4 years ago
- adcc: Seamlessly connect your program to ADC☆39Feb 24, 2026Updated last week
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year