CCL:G: Summary) Non-GUI programs
- From: "T-Tsuru%coral"
- Subject: CCL:G: Summary) Non-GUI programs
- Date: Thu, 21 Dec 2006 23:32:52 +0900
Sent to CCL by: "T-Tsuru ~ coral" [t-tsuru ~ coral.dti.ne.jp]
I sent following question last week. It was concerning the "old-style"
----- Original Message -----
To: "Tsuru, Telkuni " <t-tsuru**coral.dti.ne.jp>
Sent: Saturday, December 16, 2006 10:30 PM
Subject: CCL: Non-GUI programs
I'm looking for non-GUI molecular orbital calculation programs. Resent MO
programs have rich GUI functions. This is not better to me. Because of two
reasons as follows:
1) I want to check the calculation progress precisely with text-style output.
But GUI forbids it.
2) I would like to develop the original output editor by Flash-movie.
Does anyone know such "old-style" available free program ?
I don't care that it is EHMO or ab-initio.
And I don't care that it runs on MS-DOS(my PC is Windows).
Here is the summary.
*** I'm sorry. I forgot to write that I have Gaussian98W !
*** And I forgot to write the phrase: "non-GUI program which except for
--- 1) from Dr. Jim Kress ---
PCGAMESS and WINGAMESS
Come to mind immediately, for a Windows PC - and are free.
Dalton, PCGAMESS, GAMESS, MOLPRO, MPQC, NWChem, and Orca come to mind for a
Linux machine - and are free, except for MOLPRO.
Jaguar and ADF can probably be run from the command line too. You
probably don't need to use the GUI interface. But these cost big
--- 2) from Dr. J. P. Stewart ---
Please consider using MOPAC 7.2 from
--- 3) from Dr. Odon Farkas
Among the others, Gaussian is also available for Windows and the
academic site-wide license seems to be a good deal.
Telkuni Tsuru t-tsuru**coral.dti.ne.jp