Fix E0 energy_correction in pressure dependence calculations. - #2835

Merged

rwest merged 9 commits into

mainfrom

Feb 6, 2026

Commits on Feb 4, 2026

Add note to docstring about adding energy_correction
rwest
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fb2bbf6
Report energy_correction in __repr__ of a Configuration.
rwest
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78925e8
Use lowest energy Configuration for energy_correction.
rwest
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1252323
Remove energy_correction from TS E0 values when writing Arkane input file
rwest
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d5152bc
Fix diffmodels.py exception handling for surface mechanisms.
rwest
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7a1da1f
Use the Tmin,Tmax,Pmin,Pmax if specified in an Arkane job.
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9461d86
Fix string formatting error.
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744ad1d
Fix unit tests for Arkane reading of P and T limits.
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0e7095e
Clean up remaining tests in arkane/commonTest.py
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235dc1a