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

Anton Cherkasov
ach@iomc.ras.ru


Avogadro: http://avogadro.openmolecules.net/wiki/Main_Page
MacMolPlt: http://www.scl.ameslab.gov/MacMolPlt

On Sun Oct 17 '10 2:16pm, B. Koa wrote
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>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 Mon Oct 18 '10 at 3:11pm by the author ]


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