Kieth, the charges are there, but they are only defined for the last model.
Try this:
label %3.2[partialcharge]
model last
On Mon, Apr 30, 2012 at 11:28 AM, Keith Refson <[email protected]> wrote:
> Angel Herráez wrote:
>
>> Hi Keiith
>>
>> The square bracket syntax only works with predefined properties, not the
>> case with those
>> Mulliken charges. So it will depend on how the Castep reader digests
>> those data.
>>
>> Have you tried %[partialCharge] ?
>>
>
> Yes. I thought that Bob had implemented this
>
>
>
>> Otherwwise, maybe the route is to assign those data to a Jmol variable
>> and then try to put
>> this into the label or color command (I'm not sure about that possibility)
>>
>> The sample castep files at
>> http://jmol.svn.sourceforge.**net/viewvc/jmol/trunk/Jmol-**
>> datafiles/castep/<http://jmol.svn.sourceforge.net/viewvc/jmol/trunk/Jmol-datafiles/castep/>
>> do not seem to have charge data
>>
>
> Si2.castep does - right at the end (though with the very boring value of
> zero!). I have attached a more interesting one!
>
> Keith Refson
>
>
>
>
>>
>>
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