Donostia Natural Orbital Functional Software
☆24Apr 13, 2026Updated 2 weeks ago
Alternatives and similar repositories for DoNOFsw
Users that are interested in DoNOFsw are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- gammcor code☆11Mar 10, 2026Updated last month
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 3 years ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆21Updated this week
- Library for local orbital scaling correction (LOSC).☆18Jul 4, 2024Updated last year
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆36Oct 27, 2025Updated 6 months ago
- 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.
- ☆15Mar 3, 2026Updated last month
- QuAcK: a software for emerging quantum electronic structure methods☆32Apr 24, 2026Updated last week
- A modern C++ library for high-performance configuration interaction methods☆20Updated this week
- n2v: Density-to-potential Inversion Suite☆24Aug 29, 2022Updated 3 years ago
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆46Mar 23, 2026Updated last month
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆61Nov 30, 2022Updated 3 years ago
- Dyson equation solvers for Green's function methods☆12Apr 21, 2026Updated last week
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- Spin-projected Unrestricted Hartree-Fock program☆10Apr 4, 2026Updated 3 weeks ago
- Reference implementation of GW☆13Jul 22, 2019Updated 6 years ago
- SOC integrals generator with atomic mean field approximation☆10Updated this week
- Gauge-including magnetically induced currents.☆32Dec 7, 2023Updated 2 years ago
- ☆30Jul 15, 2025Updated 9 months ago
- Quantum Chemistry Teaching Labs and Exercises☆11Aug 16, 2022Updated 3 years ago
- ☆11Apr 25, 2026Updated last week
- 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.
- ☆14Feb 20, 2025Updated last year
- A symbolic algebra system for tensorial and noncommutative algebras☆29Apr 1, 2026Updated last month
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆21Updated this week
- ☆39Jul 20, 2019Updated 6 years ago
- Numerical integration grid for molecules.☆50Apr 14, 2026Updated 2 weeks ago
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Oct 25, 2023Updated 2 years ago
- MultiResolution Chemistry☆43Apr 22, 2026Updated last week
- Set of tools for trexio files☆19Apr 15, 2026Updated 2 weeks ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A Python package for wave function-based quantum embedding☆40Apr 7, 2026Updated 3 weeks ago
- adcc: Seamlessly connect your program to ADC☆40Updated this week
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆25Nov 7, 2025Updated 5 months ago
- A molecular integral code generator☆12Feb 7, 2016Updated 10 years ago
- Julia implementation of various electron-correlation methods (main focus on coupled cluster methods).☆25Apr 23, 2026Updated last week
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Jul 12, 2020Updated 5 years ago