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#1 2022-01-25 08:10:36

clemens
Member
Registered: 2022-01-25
Posts: 9

Send output from batch processing to file

Dear all,

Is there a way to send the output from a specific operation (e.g. "Print summary of paths" in "Topology analysis"/"Modify or print details or export paths") to an output file while running Multiwfn in batch mode? So far I only managed to save files for which an export option exists in the program.

Of course I could send stdout of the entire batch operation to some file, but this would involve some heavy text parsing afterwards and I was wondering if there was an easier way.

Thank you and best,
Clemens

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#2 2022-01-25 08:52:30

sobereva
Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 1,808
Website

Re: Send output from batch processing to file

Dear Clemens,

Sorry, Multiwfn itself doesn't support this feature. But I think this is not an evident difficulty, afterall, via awk command, the useful content can be easily extracted from the whole output according to practical need.

Best regards,

Tian

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#3 2022-02-02 15:40:52

clemens
Member
Registered: 2022-01-25
Posts: 9

Re: Send output from batch processing to file

Thanks for your help! Just wanted to check before writing this up smile

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