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Re: view/edit an input file which includes external basis sets and ECPs

Masoud Nahali

Dear Koa

It should be better that I refine my previous post as below :

Program   Input(includes external basis sets and ECPs)      Output (includes external basis sets and ECPs)
Facio                           N                                                    Y
Avogadro                        Y                                                    N
MacMolplt                       Y                                                    N

Y : read/view
N : can't read/view          

I hope this helps.

Masoud Nahali
PhD Student of Physical Chemistry
Sharif University of Technology

On Sun Oct 17 '10 2:16pm, B. Koa wrote
>Dear All

>If the input file of Firefly includes external basis sets and ECPs, no graphical interface will be able to edit/show it. I examined chemcraft and MaSK. Certainely, one can delete the basis sets and ECPs; and then after editing or viewing the file, add them again. But when a file includes many atoms this work is not a good idea. If there is a graphical program which can edit/view such files, I would be glad to here about.

>B. Koa  

[ This message was edited on Tue Oct 19 '10 at 0:36am by the author ]

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