Tools for atomistic calculations, provides features for point-defect calculations
This project has been archived.
The maintainers of this project have marked this project as archived. No new releases are expected.
Project description
pynter
Tools for atomistic calculations. Uses the pymatgen package. The main features are designed to systematically run, analyse and plot DFT point defect calculations with VASP.
It can be installed with the Python Package Index (PyPI) by running:
pip install pynter-defects
To configure settings for High-Performance Computer job submissions and for VASP calculations, run:
pynter configure
Check-out the tutorials in the pynter-tutorials repository. For an introduction consult this notebook:
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
File details
Details for the file pynter-defects-1.3.2.tar.gz.
File metadata
- Download URL: pynter-defects-1.3.2.tar.gz
- Upload date:
- Size: 195.1 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.2 CPython/3.11.5
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
c682f69044ac9b077bebee38cc6f56f4635a94bd2571a5d1e7ea8f8e9795da1c
|
|
| MD5 |
ed7cae150ac4d1f74c3ce4267b7a5e48
|
|
| BLAKE2b-256 |
ae7370343b63207ff549baeba59c4fd223a34e6742481338c2db4af4dfc55d75
|
File details
Details for the file pynter_defects-1.3.2-py3-none-any.whl.
File metadata
- Download URL: pynter_defects-1.3.2-py3-none-any.whl
- Upload date:
- Size: 224.0 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.2 CPython/3.11.5
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
5796376a7723dacc5261bd88a35b4e5be09f90172c0ebfafe2f3847f5a44743b
|
|
| MD5 |
3a745e526dcb7b16a39e6cd702cba259
|
|
| BLAKE2b-256 |
b9c08375b39f6a9df2e48e1b665a665275988c67e31c17012fe86f65850daa89
|
