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#1 2019-10-31 12:34:13

aitouna
Member
Registered: 2019-10-27
Posts: 20

runall.bat script problem

Dea Professor Tian Lu,

I used your wonderful program IRCsplit, but the script runall.bat doesn't give me the chk files, it gave .out files.
I don't know how to correct it.


Sincerely,
Anas Ouled aitouna

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#2 2019-10-31 22:01:00

sobereva
Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 1,830
Website

Re: runall.bat script problem

IRCsplit generates a batch of Gaussian input files. If you have selected proper option in IRCsplit, you will find each .gjf has a different %chk section, therefore if run all of the .gjf files, a batch of .chk files will be generated. So, please check if the %chk line indeed exists in your .gjf files.

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#3 2019-11-01 12:05:11

aitouna
Member
Registered: 2019-10-27
Posts: 20

Re: runall.bat script problem

Dea Professor Tian Lu,

Solved Problem, thank you very much Professor.


Sincerely,
Anas Ouled aitouna

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