Repair inconsistent molecular-energy interpretation in a quantum-chemistry log parser
Repair inconsistent molecular-energy interpretation in a quantum-chemistry log parser: a task in SWE-bench-Science (Harbor dataset). Then inspect the real calculation log, the supplied scientific method note, the common data model, and the parser workflow. The visible symptom is a finite but…
The task
Then inspect the real calculation log, the supplied scientific method note, the common data model, and the parser workflow. The visible symptom is a finite but scientifically inconsistent energy interpretation, not a parser crash. Determine which records in the program output describe the same physical calculation…
Part of OpenMOSS-Team/SWE-bench-Science.