Converting Basis Sets from DGauss to deMol format.
Two perl scripts are given to convert basis sets from DGauss ver 3
and earlier format to the one required by deMon. Both scripts are filters,
i.e., take the input from STANDRARD INPUT, and send output to STANDARD OUTPUT.
I use them like:
cat dg.bas | DGauss2deMon-x.pl > dm.bas
where dg.bas is a file containing single definition of a basis set for an
element in the format supported by DGauss, and dm.bas is a file with a
format required for deMon.
Script which converts orbital type basis sets. Two examples of basis
sets in DGauss format are provided for testing: cdzvp.bas, hdzv.bas.
Script which converts auxilliary (fitting) basis sets. Two examples of
fitting sets in DGauss format are provided for testing: ha2.abas,
If you find any bugs, please contact: Jan Labanowski.
Last time updated: March 26, 1997