SEAMM Strain Plug-in
A SEAMM plug-in for straining periodic systems.
Free software: BSD-3-Clause
Documentation: https://molssi-seamm.github.io/strain_step/index.html
Features
Applies an arbitrary strain to the system, using input in Voigt notation. Note the factor of two in the engineering shear strains, which is the normal convention used in simulations. Other than that, there really isn’t much to say about this plug-in! It is simple, and it works.
Acknowledgements
This package was created with Cookiecutter and the molssi-seamm/cookiecutter-seamm-plugin project template.
Developed by the Molecular Sciences Software Institute (MolSSI), which receives funding from the National Science Foundation under award CHE-2136142.
History
- 2022.11.7 – Initial release
First version, which handles straining systems moving the atoms affinely.
1 maintainer
Release files for strain-step 2022.11.7
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| strain_step-2022.11.7.tar.gz | 40.3 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| strain_step-2022.11.7-py2.py3-none-any.whl | Python 3, Python 2 | none | any | Details |
Total release size: 55.7 kB
Release files / strain_step-2022.11.7.tar.gz
| Download URL | strain_step-2022.11.7.tar.gz |
|---|---|
| Size | 40.3 kB |
| Tags | Source |
|
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/4.0.1 CPython/3.9.15
|
Release files / strain_step-2022.11.7-py2.py3-none-any.whl
| Download URL | strain_step-2022.11.7-py2.py3-none-any.whl |
|---|---|
| Size | 15.5 kB |
| Tags | Python 2 Python 3 |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
fa18ab3f32b82154d9f893fed61f8eec08e380f7ab107a842e320233502a031d
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/4.0.1 CPython/3.9.15
|
