Framework to analyze properties of radiation-induced defects in semiconductor materials from first principles.
Project description
radDefects
radDefects is a framework to analyze properties of radiation-induced defects in semiconductor materials from first principles using VASP. radDefects extends the analysis tools for single point defects from other codes including pydefect, doped, and pymatgen-analysis-defects to facilitate analysis of radiation-induced defect configurations such as Frenkel pairs and defect clusters.
Installation
Automatic installation is available with pip install raddefects. The files may also be either downloaded manually or using git clone.
Usage
radDefects scripts may currently be called from the command line with Python. More streamlined CLIs will be added.
Acknowledgements
The radDefects code was developed by Alexander Hauck, Dr. Mia Jin, and Dr. Blair Tuttle at The Pennsylvania State University.
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 raddefects-1.5.1.tar.gz.
File metadata
- Download URL: raddefects-1.5.1.tar.gz
- Upload date:
- Size: 246.6 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/5.1.0 CPython/3.10.14
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
77f486b925914c0f0837bc8753cccff13d6f97ee5fe71bd9344e0ffa55e4f8f4
|
|
| MD5 |
3ecc6683b53492268241707c3d2458a3
|
|
| BLAKE2b-256 |
3939a3e44bcd0f6b12d420b7f194f07d2e3542582dc7ac6e2800c47c5f373b36
|
File details
Details for the file raddefects-1.5.1-py3-none-any.whl.
File metadata
- Download URL: raddefects-1.5.1-py3-none-any.whl
- Upload date:
- Size: 247.9 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/5.1.0 CPython/3.10.14
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
c3505377fbcba6dfb554778e9f1fe664234c374455c4b5adbeb9dd02d96396eb
|
|
| MD5 |
0f5d56e3d30f4de5d6007c1b4af67d2f
|
|
| BLAKE2b-256 |
52bcd55339ad4dff2d982db2dcaeca9f89866fd614404133bd10a84c243524c3
|
