Hi
Are there any references for the option
INTPRT in gibbs?
It is not very clear to me what it does.
For example INTPRT=0 the
manual says "no intra-perturbed group energies are
accumulated"
How are the groups defined? Does this mean the energies of the
perturbed groups among themselves, or with all the system?
thanks, Marcela
Received on Tue Dec 05 2000 - 13:19:52 PST
