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#1 2021-08-31 15:52:23
- saber
- Member
- Registered: 2020-06-03
- Posts: 15
IBSI & IBSIW
Hello Multiwfn users
How to print the results of IBSI calculation in a text file ?
who is better for studying weak interactions between tow fragments: IBSIW (IGMH high grid quality) or IBSI (IGM prom; medium grid quality)
Thanks in advance.
Last edited by saber (2021-08-31 15:53:20)
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#2 2021-09-01 08:31:55
Re: IBSI & IBSIW
You can directly copy data from command-line window to a plain text file, please check Section 5.4 of Multiwfn on how to do that.
IBSIW based on IGMH may be better, though I didn't perform a rigorous comparative test.
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#3 2021-09-02 09:42:33
- saber
- Member
- Registered: 2020-06-03
- Posts: 15
Re: IBSI & IBSIW
thanks Tian
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