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Fix DFTB+ Hessian parsing and harden coordinate/frequency readers - #47

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galjos merged 3 commits into
mainfrom
fix-dftbplus-hessian-parsing
Jun 25, 2026
Merged

Fix DFTB+ Hessian parsing and harden coordinate/frequency readers#47
galjos merged 3 commits into
mainfrom
fix-dftbplus-hessian-parsing

Stop modes frequency parsing at trailing tag sections

65a9a26
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Codecov / codecov/project succeeded Jun 24, 2026 in 1s

93.63% (+0.01%) compared to 505074e

View this Pull Request on Codecov

93.63% (+0.01%) compared to 505074e

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 93.63%. Comparing base (505074e) to head (65a9a26).

Additional details and impacted files
@@            Coverage Diff             @@
##             main      #47      +/-   ##
==========================================
+ Coverage   93.61%   93.63%   +0.01%     
==========================================
  Files          21       21              
  Lines        1191     1194       +3     
==========================================
+ Hits         1115     1118       +3     
  Misses         76       76              

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