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- From: andrea.bordoni@unimi.it
- To: forum@abinit.org
- Subject: Double loops changing atom positions?
- Date: Thu, 24 May 2007 10:43:50 +0200
Hi,
I'm trying to write an input file to compute the total energy for different
geometries for the same "molecule".
For example, consider three atom, and you want to change the distances
between two of them and the third atom independently.
I was trying to do it with a double loop on the positions of the atoms, using
as loop parameter xangst or xcart.
But it is possible to do a double loop in which there is one single parameter
changing in two different ways?
Thanks
Andrea
- Double loops changing atom positions?, andrea . bordoni, 05/24/2007
- Re: [abinit-forum] Double loops changing atom positions?, Xavier Gonze, 05/24/2007
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