Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn
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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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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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Thanks for your help! Just wanted to check before writing this up
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