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Add conformer-ensemble thermochemistry helpers
- #80
#80
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galjos
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ensemble-thermochemistry
MolarVerse/ThermoScreening:ensemble-thermochemistry
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Jul 6, 2026
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Add conformer-ensemble thermochemistry helpers
#80
galjos
merged 2 commits into
main
MolarVerse/ThermoScreening:main
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ensemble-thermochemistry
MolarVerse/ThermoScreening:ensemble-thermochemistry
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Commits on Jul 6, 2026
Add conformer-ensemble thermochemistry helpers
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Tighten ensemble wording, test negative temperature
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