quacc – The Quantum Accelerator 🦆
quacc is a flexible platform for computational materials science 💎 and quantum chemistry 🧪 that is built for the automation era 🔥. It is maintained by the Rosen Research Group at Princeton University.
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quaccmakes it possible to easily run pre-made computational materials science workflows that can be efficiently dispatched anywhere: locally, HPC, the cloud, or any combination thereof. -
quaccgives you the freedom of choice. Through a single, unified interface to several workflow management solutions, you can use what best suits your unique computing needs. -
quaccleverages community resources so we don't reinvent the wheel. It is built around the Atomic Simulation Environment and much of the software infrastructure powering the Materials Project.
Documentation 📖
... or skip to one of the following sections:
Citation 📝
If you use quacc in your work, please cite it as follows:
- quacc – The Quantum Accelerator, https://doi.org/10.5281/zenodo.7720998.
License ⚖️
quacc is released under a BSD 3-Clause license.
Acknowledgment
This material is based upon work supported by the National Science Foundation under Award No. OAC-2514141.
1 maintainer
Release files for quacc 1.5.6
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| quacc-1.5.6.tar.gz | 147.2 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| quacc-1.5.6-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 364.1 kB
Release files / quacc-1.5.6.tar.gz
| Download URL | quacc-1.5.6.tar.gz |
|---|---|
| Size | 147.2 kB |
| Tags | Source |
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SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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| Upload date | |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/7.0.0 CPython/3.13.14
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Release files / quacc-1.5.6-py3-none-any.whl
| Download URL | quacc-1.5.6-py3-none-any.whl |
|---|---|
| Size | 216.9 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/7.0.0 CPython/3.13.14
|
