Click here for I-NoLLS applications (with pictures!).
A paper describing the I-NoLLS program has been published: Computer Physics Communications (CPC), vol. 102, 252-268 (1997) and the code is available from the CPC Program Library.
Click here for instructions on obtaining the code directly from the authors.
The development of I-NoLLS was stimulated by the problems encountered in fitting the parameters of analytical molecular potential energy surfaces to experimental data but the program is applicable to any physical problem involving highly computationally expensive property calculations and highly nonlinear and correlated model parameters.
The I-NoLLS project was initiated whilst Mark Law was the
CCP6 post-doc in Jeremy Hutson's
Theoretical Chemistry Group at Durham University.
This page last modified May 31st, 2021