Re: [Jmol-users] problem with mo density / mo plane

[Robert H. <ha...@st...>]

Jmol.___JmolVersion="14.7.4_2016.10.08"

bug fix: SET MEASUREMENTS x.x  is 10x too wide

bug fix: MO command does not allow SQUARED with PLANE
bug fix: MO command SQUARED does not reset cutoff to its square
bug fix: MO command does not preserve SQUARED after PLANE command

bug fix: MOLDEN reader does not accept [MOLDEN FORMAT]

bug fix: WRL/X3D/STL surface closure for rockets, cartoons, polyhedra,
ellipsoids, geosurface, draw
bug fix: triangle renderer miscalculates z-index, causing some hidden
triangle bits to show



On Sat, Oct 8, 2016 at 8:18 AM, Urs Leisinger <urs...@ks...> wrote:

> Hi,
> I am trying to visualize the overall electron density of a molecule on a
> planar slice.
>
> Unfortunately, the following combinations of commands do not work:
>
>          mo density
>
>          mo plane "xy"
>
> or
>
>          mo [1.0 1, 1.0 2, 1.0 3, 1.0 4, 1.0 5] SQUARED
>
>          mo plane "xy"
>
>
> It seems that "mo plane" invariably combines the orbitals linearly
> instead of summing up their squares.
>
> I would appreciate some hints very much,
>
> Thank you very much
>
> Urs
>
>
>
> --
> Urs Leisinger
> Fachschaft Chemie
> Kantonsschule Zug
> Lüssiweg 24
> 6300 Zug
>
>
> --
> Urs Leisinger
> Fachschaft Chemie
> Kantonsschule Zug
> Lüssiweg 24
> 6300 Zug
>
>
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-- 
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900