workgraph-collections
This repository offers a variety of workgraphs tailored to different computational codes, providing practical demonstrations of how to utilize aiida-workgraph. Please note, however, that these examples are intended for illustrative purposes only and may not always represent the most correct or efficient usage.
Installation
Install the latest version of the package from github:
pip install git+https://github.com/superstar54/workgraph-collections.git
Qauntum ESPRESSO
- Equation of state (EOS)
- Bands structure
- Projected density of states (PDOS)
- X-ray photoelectron spectroscopy (XPS)
- Bader Charge
- Wannier90
CP2K
ASE
-
EMT calculator
-
Espresso calculator
GPAW
1 maintainer
Metadata
1 maintainer
Release files for workgraph-collections 0.1.6
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| workgraph_collections-0.1.6.tar.gz | 24.1 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| workgraph_collections-0.1.6-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 63.8 kB
Release files / workgraph_collections-0.1.6.tar.gz
| Download URL | workgraph_collections-0.1.6.tar.gz |
|---|---|
| Size | 24.1 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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No |
| Uploaded via |
twine/5.1.1 CPython/3.9.19
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Release files / workgraph_collections-0.1.6-py3-none-any.whl
| Download URL | workgraph_collections-0.1.6-py3-none-any.whl |
|---|---|
| Size | 39.7 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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No |
| Uploaded via |
twine/5.1.1 CPython/3.9.19
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