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Run dftbplus_thermo in an optional isolated working directory - #54

Merged
galjos merged 2 commits into
feed-ase-atoms-to-run-thermofrom
isolate-dftbplus-run-directory
Jun 26, 2026
Merged

Run dftbplus_thermo in an optional isolated working directory#54
galjos merged 2 commits into
feed-ase-atoms-to-run-thermofrom
isolate-dftbplus-run-directory

Cover dftbplus_thermo directory wiring without DFTB+ binaries

594560c
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Codecov / codecov/project succeeded Jun 26, 2026 in 0s

95.00% (+0.72%) compared to 8039bd7

View this Pull Request on Codecov

95.00% (+0.72%) compared to 8039bd7

Details

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 95.00%. Comparing base (8039bd7) to head (594560c).

Additional details and impacted files
@@                       Coverage Diff                        @@
##           feed-ase-atoms-to-run-thermo      #54      +/-   ##
================================================================
+ Coverage                         94.27%   95.00%   +0.72%     
================================================================
  Files                                21       21              
  Lines                              1206     1221      +15     
================================================================
+ Hits                               1137     1160      +23     
+ Misses                               69       61       -8     

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