[ghemical-devel] A stupid question

[Michael Banck]

On Tue, Feb 17, 2004 at 11:30:24AM +0100, Jean Bréfort wrote:
> I have not used a lot ghemical so far, but I plan to. I tried work with
> all available versions,and have the same problem with all of them. When
> I add an object (electrostatic plane, orbital or other) some calculus
> occurs, but nothing is displayed (some times, atoms in the background
> become somewhat darker).

I think you have to specify the orbital first, by with 'Set current
orbital' (and then replacing the placeholder for the orbital you want).

I'm not sure whether you can specifiy HOMO, HOMO+1 or so, I had to count
them by hand last time (which is a bit tedious, at least mpqc and/or
mopac specifiy the HOMO/LUMO during the end of the output)

Also, it might be that you'd have to replace some value in the
command-line popup for rendering orbitals, not sure.

I only use 1.0x, so it might be different in other versions.


hope that helps,

Michael