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update covariance matrices of surfaceThermoPt111 and adsorptionPt111 for new nitrogen data #730

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Merged
rwest merged 2 commits into from
Jun 4, 2026
Merged

update covariance matrices of surfaceThermoPt111 and adsorptionPt111 for new nitrogen data #730

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2ecfa79
update covariance matrices for surfaceThermoPt111 and adsorptionPt111
sevyharris May 21, 2026
a956fac
Use .csv for covariance matrices bc easier to understand contents
sevyharris Jun 3, 2026
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317 changes: 317 additions & 0 deletions input/thermo/uncertainty/adsorptionPt111/covariance.csv
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1,662 changes: 989 additions & 673 deletions input/thermo/uncertainty/adsorptionPt111/groups.py
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2,402 changes: 1,219 additions & 1,183 deletions input/thermo/uncertainty/adsorptionPt111/species_dictionary.txt
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189 changes: 189 additions & 0 deletions input/thermo/uncertainty/surfaceThermoPt111/covariance.csv
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2,402 changes: 1,219 additions & 1,183 deletions input/thermo/uncertainty/surfaceThermoPt111/species_dictionary.txt
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14,439 changes: 14,338 additions & 101 deletions scripts/compile_BEEF_cov.ipynb
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