CCL:G: QTAIM Delocalisation Index and NNA

 Sent to CCL by: "Tian  Lu" [sobereva!^!sina.com]
 Hello,
 You can directly use output file of Firefly or GAMESS-US as input file of
 Multiwfn for wavefunction analysis; however, before loading it to Multiwfn,
 you need to manually change the extension of the file to ".gms", see
 "GAMESS-
 US or Firefly output file (.gms)" part in Section 2.5 of Multiwfn manual
 for
 detail.
 --------------------------------
 Best regards,
 Dr. Tian Lu
 Beijing Kein Research Center for Natural Sciences, Beijing, P. R. China
 ----- Original Message -----
 > From: "Mark Zottola mzottola]|[gmail.com"
 <owner-chemistry/a\ccl.net>
 To: "Lu, Tian " <sobereva/a\sina.com>
 Subject: CCL:G: QTAIM Delocalisation Index and NNA
 Date: 2021-08-19 02:01
 Would it be possible for you to read the basis set information from formats
 other than Gaussian and Molden files?
 Reading in a PUNCH file from Firefly or a dat file from GAMESS would be
 helpful.  OpenBabel does not convert into fck format nor does it read from
 dat files.  MultiWFN is extraordinarily helpful and eliminating this
 limitation would make it even more valuable.