unnecessary line in cube files ?

[vormar]

Dear All,

I've found that ypp always prints a mysterious "1 1" line after the atoms section, right before printing the desired function on a grid when the cube format is selected. Is this there for debugging purposes? I've never seen such cube files. Anyway, most of the time this does not cause any problem since usual plotting codes read the volumetric data until the proper amount of data point is found so two integers at the beginning does not matter.

The line which prints these numbers is in /ypp/plot_cube.F, line 78 in version 3.2.3 rev. 696.

Marton

[Daniele Varsano]

Dear Marton,
you are right. Actually I do not remember why I added these two numbers,
may be for debugging purpose and finally they were not removed,
surely they look unnecessary!!

Thanks a lot for noticing it, and pointing it out.

Cheers,

Daniele