It was a simple bug -- Jmol was looking for
>vasp<
but this version has
>vasp <
(with the extra space). With your files and the version you have, you would
force the issue with
load "XmlVasp::vasprun.xml"
corrected Jmol version:
http://chemapps.stolaf.edu/jmol/docs/examples-11/Jmol-11.zip
Bob
On Wed, Feb 17, 2010 at 5:35 AM, Andrew R Turner <[email protected]>wrote:
>
> Hi All,
>
> This is probably a stupid question, but...
>
> I cannot seem to use the VASP XML reader in Jmol to read my
> 'vasprun.xml' file. I have downloaded and compiled the Jmol source
> (which includes the 'XmlVaspReader' class source).
>
> When I run the application and try:
>
> load "vasprun.xml"
>
> I get:
>
> script ERROR: File reader was not
> found:org.jmol.adapter.readers.???.unidentified XmlCmlReader
>
> If I try (either/or):
>
> load "vasp(xml)::vasprun.xml"
> load "vasp::vasprun.xml"
>
> I get:
>
> script ERROR: unrecognized file format type vasp(xml)
> script ERROR: unrecognized file format type vasp
>
> There does not seem to be anything in the scripting documentation
> about loading VASP files yet either.
>
> Can anyone help me out here?
>
> Cheers
> Andy
>
>
> ========================================
> Dr Andrew R. Turner
> e: [email protected]
> t: +44 (0)131 651 3578
> p: Edinburgh Parallel Computing Centre
> University of Edinburgh
> EH9 3JZ
> ========================================
>
> --
> The University of Edinburgh is a charitable body, registered in
> Scotland, with registration number SC005336.
>
>
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
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
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