On Sat, Jun 24, 2006, mbrut.laas.fr wrote:
> If I well understand, the hessian matrix is never calculated in a full
> hessian matrix but only in fragments 6*6 matrix ?
> You say : "These items are later inserted into the "full" Hessian matrix."
>
> But where ?
The Hessian is stored in array "x", starting at position "mh" (i.e. x(mh)
is the first element of the complete hessian matrix. I believe this is stored
as the upper half-matrix, stored columnwise.
....dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Jun 27 2006 - 09:53:51 PDT