Fixed SCF parsing from Gaussian log files #18
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Single-line fix that allows capture of an occasional negative sign in a SCF energy value.
JacksonBurns
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Sep 29, 2025
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JacksonBurns
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JacksonBurns
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This change is good, the unit test is wrong - please add the expected negative there, and this should be good to go.
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Single-line fix that allows capture of an occasional negative sign in a SCF energy value.