<![CDATA[Multiwfn forum / Send output from batch processing to file]]> - //www.umsyar.com/wfnbbs/viewtopic.php?id=614 Wed, 02 Feb 2022 15:40:52 +0000 FluxBB <![CDATA[Re: Send output from batch processing to file]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=2208#p2208 Thanks for your help! Just wanted to check before writing this up smile

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Wed, 02 Feb 2022 15:40:52 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=2208#p2208
<![CDATA[Re: Send output from batch processing to file]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=2203#p2203 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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Tue, 25 Jan 2022 08:52:30 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=2203#p2203
<![CDATA[Send output from batch processing to file]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=2202#p2202 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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Tue, 25 Jan 2022 08:10:36 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=2202#p2202