Parallelization of numerical Hessian calculation


[ Molcas user's WWWBoard ]

Posted by Artur Nenov on August 05, 2011 at 19:02:44:

I would like to know if the nummerical calculation of the Hessian is also parallelized over the displacements as this is done for the numerical gradient.


Follow Ups:



Post a Followup

Name:
E-Mail:

Subject:

if B is 1s22s22p1, what is Li?

Passfield:

Comments:


[ Follow Ups ] [ Post Followup ] [ Molcas user's WWWBoard ]