XASDoc update concurrent with pymatgen update

[esoteric-ephemera]

Very minor fix related to the XASDoc - previously we relied on the XAS class in pymatgen to fail to construct when too many non-positive frequencies were passed in. Now that an exception is no longer thrown, the document model just needs to patch non-positive frequencies on the fly.

[codecov-commenter]

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 90.18%. Comparing base (a1b5ff2) to head (6154b1c).

Additional details and impacted files

@@             Coverage Diff             @@
##             main    #1176       +/-   ##
===========================================
+ Coverage   72.13%   90.18%   +18.05%     
===========================================
  Files          77      147       +70     
  Lines        5149    14503     +9354     
===========================================
+ Hits         3714    13080     +9366     
+ Misses       1435     1423       -12     

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