SEAMM Thermochemistry Plug-in
A SEAMM plug-in for Thermochemistry
Free software: BSD-3-Clause
Documentation: https://molssi-seamm.github.io/thermochemistry_step/index.html
Features
Please edit this section!
Acknowledgements
This package was created with the molssi-seamm/cookiecutter-seamm-plugin tool, which is based on the excellent Cookiecutter.
Developed by the Molecular Sciences Software Institute (MolSSI), which receives funding from the National Science Foundation under award CHE-2136142.
History
2026.3.1 – Internal: switching from deprecated library pkg_resources to importlib
- 2025.1.31: Add properties and other results.
Added ZPE, H, G, S, P, T, number of saddle point modes, and the transition states frequency (for transition states) to the results.
2024.12.22: First real release.
2024.10.17 (2024-10-17)
Plug-in created using the SEAMM plug-in cookiecutter.
1 maintainer
Metadata
1 maintainer
Release files for thermochemistry-step 2026.3.1
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| thermochemistry_step-2026.3.1.tar.gz | 309.0 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| thermochemistry_step-2026.3.1-py2.py3-none-any.whl | Python 3, Python 2 | none | any | Details |
Total release size: 330.1 kB
Release files / thermochemistry_step-2026.3.1.tar.gz
| Download URL | thermochemistry_step-2026.3.1.tar.gz |
|---|---|
| Size | 309.0 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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|
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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/6.1.0 CPython/3.13.7
|
Release files / thermochemistry_step-2026.3.1-py2.py3-none-any.whl
| Download URL | thermochemistry_step-2026.3.1-py2.py3-none-any.whl |
|---|---|
| Size | 21.1 kB |
| Tags | Python 2 Python 3 |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
15754f366c92764e9ce9116a19efdff6c73a43c16c0625f5556ea47dc77442f2
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.1.0 CPython/3.13.7
|
