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old_ _Gaussian.log

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Oliver Stueker edited this page May 11, 2015 · 3 revisions
    • WARNING**: I believe this to be old now. It should be modified or maybe eliminated.

The chunk output from Gaussian depends on the version, the machine and the keywords. Gaussian uses "links" as its top-level module structure. If the keyword is used we should get information about when the program enters and leaves links: Typical messages (with exit and entry bold):

The entry and leave messages are balanced except for the start (where enter l601 seems to have got missed) and the structure is messy.

The chunked output (which will be further cleaned and tidied) looks like:

Note that the leaveLink has been deleted and that each module retains the original formatting so it can be directly parsed

Gaussian also has an overall summary of the structure (in some versions only) like [NOT]:

which can be parsed to indicate which links and which options are used. We may add this later

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