QuantumPioneer / FastLogfileParser

Parse Computational Chemistry Logfiles, But Fast-ly
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add parser for Orca #8

Closed JacksonBurns closed 8 months ago

JacksonBurns commented 10 months ago

Resolves #7

JacksonBurns commented 8 months ago

The time regex is bugged, does not work on:

                             ****ORCA TERMINATED NORMALLY****
TOTAL RUN TIME: 0 days 0 hours 56 minutes 1 seconds 751 msec

but does work on:

                             ****ORCA TERMINATED NORMALLY****
TOTAL RUN TIME: 0 days 1 hours 42 minutes 47 seconds 2 msec
JacksonBurns commented 8 months ago

Regex bug was that the optional decimal was never actually there, which was ok if seconds was 2 digits but broke otherwise