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#1 2019-08-28 11:08:34
- pmcardle
- Member
- Registered: 2019-03-18
- Posts: 11
basin analysis
Is it possible to get the result of integrating the electron density i.e. the list of basin, Integral(a.u.), Volume(a.u.^3)
written to a file?
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#2 2019-08-28 13:11:21
Re: basin analysis
You can copy the output information directly from console to a text file, please check 5.4 of Multiwfn manual on how to do this. Alternatively, you can use silent mode to run Multiwfn, so that all output information could be redirected to a specific text file, see Section 5.2 of Multiwfn on how to run via command-line mode.
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#3 2019-08-29 09:44:31
- pmcardle
- Member
- Registered: 2019-03-18
- Posts: 11
Re: basin analysis
Many thanks for you quick reply and for your excellent program.
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