Zinq
Features · Citation · Docs
Lightweight Zig framework for electronic structure theory, quantum chemistry, and mathematical algorithms. Written from scratch, it favors simple design while relying on efficient algorithms.
Features
Zinq provides tools for both time-independent and time-dependent quantum mechanical simulations.
Time-Independent Quantum Mechanics
-
Integrals over Gaussian Basis Functions
Compute integrals over Gaussian basis functions from .xyz geometries and basis files. -
Hartree–Fock Methods
Perform restricted or generalized Hartree-Fock calculation with DIIS accelerator. -
Post-Hartree–Fock Methods
Use variety of selected perturbative or variational post-Hartree–Fock methods. -
Density Functional Theory
Use variety of exchange-correlation functionals for density functional theory calculations.
Time-Dependent Quantum Mechanics
-
Quantum Dynamics
Simulate wavepacket dynamics in arbitrary dimensions and across multiple electronic states. -
Surface Hopping
Run nonadiabatic dynamics with various surface hopping algorithms. -
Ehrenfest Dynamics
Perform mean-field nonadiabatic simulations with continuous electronic-nuclear coupling.
Citation
If you use Zinq in your research, please cite the project on Zenodo using the following general BibTeX entry. If you are referring to a specific version, please visit the Zenodo page and download the corresponding citation there.
@software{ZinqJira2026,
author = {Tomáš Jíra},
title = {tjira/zinq},
year = 2026,
publisher = {Zenodo},
doi = {10.5281/zenodo.18386143},
url = {https://doi.org/10.5281/zenodo.18386143},
}
License
This project is licensed under the MIT License. See LICENSE for details.
1 maintainer
Metadata
1 maintainer
Release files for zinq 0.11.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Built distributions (wheels)
| File | Reset | |||
|---|---|---|---|---|
| zinq-0.11.0-py3-none-win_arm64.whl | Python 3 | none | Windows ARM64 | Details |
| zinq-0.11.0-py3-none-win_amd64.whl | Python 3 | none | Windows x86-64 | Details |
| zinq-0.11.0-py3-none-manylinux_2_17_x86_64.whl | Python 3 | none | Linux glibc 2.17+ x86-64 | Details |
| zinq-0.11.0-py3-none-manylinux_2_17_aarch64.whl | Python 3 | none | Linux glibc 2.17+ ARM64 | Details |
| zinq-0.11.0-py3-none-macosx_11_0_x86_64.whl | Python 3 | none | macOS 11.0+ x86-64 | Details |
| zinq-0.11.0-py3-none-macosx_11_0_arm64.whl | Python 3 | none | macOS 11.0+ ARM64 | Details |
Total release size: 238.7 MB
Release files / zinq-0.11.0-py3-none-win_arm64.whl
| Download URL | zinq-0.11.0-py3-none-win_arm64.whl |
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| Size | 23.4 MB |
| Tags | Python 3 Windows ARM64 |
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| Download URL | zinq-0.11.0-py3-none-win_amd64.whl |
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| Size | 24.9 MB |
| Tags | Python 3 Windows x86-64 |
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| Size | 70.3 MB |
| Tags | Linux glibc 2.17+ x86-64 Python 3 |
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| Tags | Python 3 macOS 11.0+ x86-64 |
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| Tags | Python 3 macOS 11.0+ ARM64 |
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