Section LqbasxLqfitx_xyznuc

This section will be removed again in the future. Temporarily it serves to transfer data from the calling program to the grid generator.

lqbasx

An array with for each atom type the maximum angular moment quantum number in the basis functions for that type

lqfitx

An array with for each atom type the maximum angular moment quantum number in the fit functions for that type

xyznuc

Cartesian coordinates of the non-dummy atoms