The module adfreport is intended to facilitate scripting: it makes it very easy to get results calculated by adf in your own script. The results are taken from a .t21 result file. The results are available as an HTML file, a tab-separated file, or on standard output for use in other scripts. In this way, one can quickly compare calculate values across a set of calculations, as well as specified pictures, such as HOMO and LUMO orbitals.




