VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Thu Aug 02 2007 - 11:51:00 CDT

On 8/1/07, Myunggi Yi <myunggi_at_gmail.com> wrote:
> Dear vmd users,
>
> How can I extract eigen values using "Orient package" after diagonalization
> using "La" package?

well,
you'll have to dig into the source code (it is
simple and readable enough) and compare it
with the La documentation. just add a puts to
write out the eigenvalues and you're done.

piece of cake.

cheers,
   axel.
>
>
> --
> Best wishes,
>
> MYUNGGI YI
> ==================================
> KLB 419
> Institute of Molecular Biophysics
> Florida State University
> Tallahassee, FL 32306
>
> Office: (850) 645-1334
> http://www.scs.fsu.edu/~myunggi
>
> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
  Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.