pymks
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atommks folder added
Still a draft pull request.
- atomstat.py implements tools to compute 2 point correlations for atomic-scale datasets.
- the data folder contains example files for testing the code
- the jupyter notebooks contain example for code utilization
@wd15 Its not yet ready for your review. Will make some more changes to the code today and then request your help.
Our shape functions are in pymks/fmks/func.py.
You can use dist_mesh(shape)<=radius
to define your spheres instead of writing a custom function.
Also, can we put the data (.CIF and .xyz files) somewhere else outside of this git repo?
Check out this pull request on
See visual diffs & provide feedback on Jupyter Notebooks.
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