Sat, 12 Jun 2021 05:50:03 +0000

Dear Tian Lu

Thank you for your suggestion, now the software is working properly according to the updated settings.ini

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Fri, 11 Jun 2021 14:51:22 +0000

Probably Multiwfn didn't recognize the settings.ini file and thus used the default setting.
If you are using Linux version, please set "Multiwfnpath" environment to the folder containing the settings.ini file, see Section 2.1.2 of Multiwfn manual for detail.

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Fri, 11 Jun 2021 09:55:07 +0000

Dear Sir/Madam,

I am new to Multiwfn, and I just installed Multiwfn. I was reconfiguring the settings.ini file to change the number of threads by changing the default value from 4 to 24, but Mutiwfn failed to recognize the change when I run it afterwards. I also tried other parameters (bndordthres) but it failed to change when I run as well. I also checked my syntax is according to the comment in the settings.ini file. May I know what could be the issue?

Thank you in advance!

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