Dear Adf'ers,

                I want to handle ascii tape41 files to get good pictures of MO,
densities, et cetera. I generate the ascii files using the dmpkf utility.
It is quite clear how to extract atomic coordinates, grid origin and grid
steps, but my problem arises with the property I'm interested in. How can I
put the (n_x * n_y * n_z) points into a 3D matrix, say a[n_x][n_y][n_z]
using a triple loop? In other words, Which index comes first? n_x or n_y or
n_z?
                I should say that I tried several possibilities and in some cases I
succeeded but in others I didn't.
                Thanks in advance.
                Regards,
        
                                                                Reinaldo
Received on 2002-05-14 16:30:08