[molpro-user] Numerical geometry opt

[Jason Byrd]

Molpro users,

Are there any computational/numerical advantages to doing numerical 
geometry optimizations with optg verses the minimize call?  I saw some 
differences in method and such but it was not clear from just the manual 
which would be best for geometries.

Jason

-- 
Jason Byrd
Graduate Student
Department of Physics
University of Connecticut U-3046
2152 Hillside Road
Storrs, CT 06269-3046

Office: P209 Tel: 860-486-3484   
Email: byrd at phys.uconn.edu