[Wien] PORT minimization

[J.H. Mokkath, FB18]

Hello Laurence,

Thanks for your reply.

I do not have access to the journal paper.

Could you please tell me what is the meaning of 0.0 and 1.0 below file.

PORT 2.0 0.35      # PORT/NEWT;  tolf, Initial Trust Radius
  0.0 0.0 0.0 1.0    #Atom  1 Generated by pairhess
  0.0 0.0 0.0 1.0    #Atom  2 Generated by pairhess

Regards,
MOkkath...

--------------------------------------------------------
This mail sent through http://www.uni-kassel.de/www-mail