the parser works when using many thermo_style #166
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JPchico
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Nov 13, 2024
before the parser was adding all the data in the same array, and parsing the numbers with the last headers found messing up if many headers and data columns were present in the output file. Now, if many header are present, the old data is forgotten as soon as a new Step ... header is found, and only the last one will be parsed in the output. This allows to parse output from LammpsRawCalculation with different thermo_style without errors, as the one found in https://docs.lammps.org/compute_heat_flux.html#example-input-file added test
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JPchico
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Nov 17, 2024
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## master #166 +/- ##
==========================================
+ Coverage 85.41% 85.43% +0.01%
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Files 19 19
Lines 1625 1627 +2
==========================================
+ Hits 1388 1390 +2
Misses 237 237
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before the parser was adding all the data in the same array, and parsing the numbers with the last headers found messing up if many headers and data columns were present in the output file.
Now, if many header are present, the old data is forgotten as soon as a new Step ... header is found, and only the last one will be parsed in the output. This allows to parse output from LammpsRawCalculation with different thermo_style without errors, as the one found in https://docs.lammps.org/compute_heat_flux.html#example-input-file