crystal_space

[hspark1212]

Crystal Space tutorials

Description

This pull request involve an example of screening with the SMCAT filter to explore chemical space in compositions. The tutorials will be placed at Crystal_Space directory.

Type of change

N/A

How Has This Been Tested?

I tested running the code in the Planck server.

Test Configuration:

• Python version: 3.8
• Operating System: Centos 7

Reviewers

@aronwalsh @AntObi

Checklist:

• My code follows the style guidelines of this project
• I have performed a self-review of my own code
• I have commented my code, particularly in hard-to-understand areas
• I have made corresponding changes to the documentation
• My changes generate no new warnings
• I have added tests that prove my fix is effective or that my feature works
• New and existing unit tests pass locally with my changes
• Any dependent changes have been merged and published in downstream modules
• I have checked my code and corrected any misspellings

[codecov]

Codecov Report

All modified and coverable lines are covered by tests ✅

Comparison is base (133b065) 72.80% compared to head (1bda7be) 72.80%.

Additional details and impacted files

@@           Coverage Diff           @@
##           master     #189   +/-   ##
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  Coverage   72.80%   72.80%           
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  Files          24       24           
  Lines        1945     1945           
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  Hits         1416     1416           
  Misses        529      529           

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[AntObi]

All tests pass, and the code & notebooks are nicely documented. Happy to merge!