Update Docs and '-time gpumd' #29
Merged
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
This pull request introduces a series of updates to the GPUMDkit project, including feature enhancements, documentation updates, and code optimizations. The most significant changes include the addition of a real-time progress tracker in the
time_consuming_gpumd.shscript, updates to the project's documentation and website, and improvements to visual assets.Feature Enhancements:
Scripts/analyzer/time_consuming_gpumd.shscript now includes a real-time progress tracker with features like speed calculation, estimated time remaining, and a formatted output table. This replaces the previous static calculations for frame speed and estimated time.Documentation Updates:
docs/index.htmlfile to include a favicon, Google site verification meta tag, and additional links to resources likeGPUMD-ToolsandMAGUS. Also, updated descriptions and added new gallery items, such as "Self Diffusion Coefficient." [1] [2] [3] [4] [5]Visual Assets:
docs/index.html,docs/plot_scripts.html, anddocs/tutorials/plot_scripts.md) to ensure consistency and accessibility. [1] [2] [3]docs/style.cssfrom 220px to 300px for improved visibility.Versioning:
1.2.4to1.2.5in both the README andgpumdkit.shscript to reflect the new changes. [1] [2]