The public repository of the Chronus Quantum (ChronusQ) Software Package
☆23Jul 2, 2026Updated 2 weeks ago
Alternatives and similar repositories for chronusq_public
Users that are interested in chronusq_public are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A modern C++ library for high-performance configuration interaction methods☆21Apr 27, 2026Updated 2 months ago
- ☆25Nov 5, 2025Updated 8 months ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- Spin-projected Unrestricted Hartree-Fock program☆10Jul 1, 2026Updated 2 weeks ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆24Updated this week
- 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.
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆61Nov 30, 2022Updated 3 years ago
- Automatic MR based on PySCF☆18Jan 25, 2026Updated 5 months ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆50Updated this week
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- Python version of Grimme's D3-dispersion correction for compchem inputs/outputs☆19Feb 17, 2026Updated 5 months ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- JIT-compiled GPU kernels for quantum chemistry☆36Jan 30, 2026Updated 5 months ago
- C++ library for tensor computations☆37Apr 27, 2023Updated 3 years ago
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆52Mar 27, 2026Updated 3 months ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Program for Molecular Fock Dirac calculations☆12Apr 16, 2020Updated 6 years ago
- Numerical integration grid for molecules.☆51Apr 14, 2026Updated 3 months ago
- Kohn-Sham Python-based inversion Evaluation Software☆16Dec 22, 2021Updated 4 years ago
- MultiResolution Chemistry☆44Updated this week
- Donostia Natural Orbital Functional Software☆27May 18, 2026Updated 2 months ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆26Nov 7, 2025Updated 8 months ago
- davidson iterative diagonalizer☆12Jun 30, 2021Updated 5 years ago
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated last year
- n2v: Density-to-potential Inversion Suite☆24Aug 29, 2022Updated 3 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆22Jun 15, 2026Updated last month
- Set of quantum chemistry programs and libraries☆44Dec 19, 2020Updated 5 years ago
- ☆10Updated this week
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- Variational Quantum Eigensolver (VQE) from scratch on molecular hydrogen☆16Feb 17, 2021Updated 5 years ago
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Jul 12, 2020Updated 6 years ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆63Updated this week
- Library first implementation of the D3 dispersion correction☆86Updated this week
- Generate isosurface from density data☆14May 21, 2026Updated last month
- 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.
- Orbital transfer and automatic multi-reference calculation for quantum chemistry☆76Jul 2, 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
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆36Oct 27, 2025Updated 8 months ago
- Fast, hackable molecular integrals☆13Jan 20, 2026Updated 6 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
- Developer repository for the LATTE code☆49Feb 23, 2026Updated 4 months ago
- ☆30Jul 15, 2025Updated last year