GPUMDkit v1.0.0 - Spring Festival Gift 🎉
GPUMDkit is a toolkit for the GPUMD (Graphics Processing Units Molecular Dynamics) program. It provides a set of tools to streamline the use of common scripts in GPUMD and NEP (neuroevolution potential), simplifying workflows and enhancing efficiency.
Key Features
- Simplified Script Invocation: Easily run scripts for GPUMD and NEP.
- Workflow Automation: Automate common tasks to save time and reduce manual intervention.
- User-Friendly Interface: Intuitive shell commands designed to enhance user experience.
Future Plans
- Expand Post-Processing Modules: Develop additional tools for data analysis and visualization.
- Enhance User Interface: Improve the interface for better accessibility and usability.
- Optimize Performance and Compatibility: Increase efficiency and support for various versions of GPUMD and related software.
May this toolkit bring you both efficiency and joy in your research. Thank you for your support, and we look forward to your feedback as we continue to improve GPUMDkit!
Finally! 🎉 Happy Spring Festival! 🎉