http://sobereva.com/wfnbbs/viewtopic.php?id=208 Thu, 29 Aug 2019 09:44:31 +0000 FluxBB http://sobereva.com/wfnbbs/viewtopic.php?pid=639#p639 Many thanks for you quick reply and for your excellent program.

]]> Thu, 29 Aug 2019 09:44:31 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=639#p639 http://sobereva.com/wfnbbs/viewtopic.php?pid=638#p638 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.

]]> Wed, 28 Aug 2019 13:11:21 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=638#p638 http://sobereva.com/wfnbbs/viewtopic.php?pid=637#p637 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?

]]> Wed, 28 Aug 2019 11:08:34 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=637#p637