Multiwfn forum / runall.bat script problem

Re: runall.bat script problem

dummy@example.com (aitouna) — Fri, 01 Nov 2019 12:05:11 +0000

Dea Professor Tian Lu,

Solved Problem, thank you very much Professor.

Sincerely,
Anas Ouled aitouna

Re: runall.bat script problem

dummy@example.com (sobereva) — Thu, 31 Oct 2019 22:01:00 +0000

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.

runall.bat script problem

dummy@example.com (aitouna) — Thu, 31 Oct 2019 12:34:13 +0000

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