AiiDA plugin for UppASD version 2
Project description
AiiDA-UppASD2
The AiiDA-UppASD2 project is a new AiiDA-based initiative that starts from scratch, based on AiiDA version 2 and UppASD version 6. It aims to provide a more robust and user-friendly high-throughput computing platform for the UppASD (Atomistic and multi-scale spin dynamics simulation) code.
Installation
1. Install AiiDA. For more information, see the AiiDA documentation.
2. Install aiida-uppasd2 package
Option 1: Install from PyPI
pip install aiida-uppasd2
Option 2: Install with GitHub repository
git clone #current repository
cd aiida-uppasd2
pip install -e .
3.Setup code and computer in AiiDA for aiida-uppasd2 (make sure that in your cluster the excutable sd file is prepared)
4. Enjoy!
License
GPLv3
Contact
Dr. Qichen Xu qichenx@kth.se or mxjk851@gmail.com
Project details
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