QCManyBody
QCManyBody is a python package for running quantum chemistry many-body expansions and interaction calculations in a package-independent way.
Installation
QCManyBody is available from PyPI and from conda-forge.
# Installation from PyPI
pip install qcmanybody
# Installation from conda-forge
conda install -c conda-forge qcmanybody
To install the latest development version directly from GitHub, you can use the following command:
pip install git+https://github.com/MolSSI/QCManyBody.git
Documentation
Full documentation is available at https://molssi.github.io/QCManyBody/
Authors
- Asem Alenaizan, @alenaizan, original Psi4 implementations of vmfc Hessians, multi-level, and embedded point charges
- Lori A. Burns, @loriab, ManyBody QCSchema and high-level interface
- Benjamin P. Pritchard, @bennybp, core interface and QCArchive integration
- Daniel G. A. Smith, @dgasmith, original Psi4 implementations of nocp, cp, and vmfc single-level e/g/H and distributed driver integration
Citation 
The journal article reference describing QCManyBody is:
L. A. Burns, C. D. Sherrill, B. P. Pritchard, "QCManyBody: A Flexible Implementation of the Many-Body Expansion", J. Chem. Phys. 161(15) 152501 (2024).
Demonstration
An example of the core and high-level interfaces can be found in test_examples with directions in tests/README.
Release files for qcmanybody 0.8.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| qcmanybody-0.8.0.tar.gz | 987.6 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| qcmanybody-0.8.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 2.0 MB
Release files / qcmanybody-0.8.0.tar.gz
| Download URL | qcmanybody-0.8.0.tar.gz |
|---|---|
| Size | 987.6 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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Transparency logRelease files / qcmanybody-0.8.0-py3-none-any.whl
| Download URL | qcmanybody-0.8.0-py3-none-any.whl |
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| Size | 972.8 kB |
| Tags | Python 3 |
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SHA-256 checksum How to use checksums |
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Yes |
| Uploaded via |
twine/7.0.0 CPython/3.13.14
|
Provenance
Provenance describes where a file came from. On PyPI, provenance is shared via attestations, which provide a verifiable record of the build or publishing details. View details, limitations and caveats.
PyPI Publish Attestation
PyPI verified that this artifact, at this checksum, originated from the publisher listed below.
Signed by GitHub Actions, verified by PyPI on Sep 2, 2026.
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