Multiwfn forum

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

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,830

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

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