On Wednesday 15 October 2003 09:40, Masayoshi Mikami wrote:
> I have confirmed that the latest Jmol v.8
> now accepts *_CML.xml format (CML files for solids)
> used in ABINIT ( http://www.abinit.org/ ).
> ABINITioners will appreciate the feature very much.

About the files you attached: may we put these in Jmol CVS, and distribute 
them? In addition, could you also send the output in CML format, so that
I can add that one too to CVS?

> Now I have noticed that the Jmol can accept
> the output format of v.3.x.x only, not of v.4.x.x.

Thanx for the diff! That is very useful. I've filed a bug for this as Jmol's 
SourceForge website.

> I will enclose an example taken from ~ABINIT/Test_v4/Refs/t01.out;
> the other reference outputs are available in the ABINIT tar.gz
> ball as ~ABINIT/Test*/Refs/* (here "~ABINIT" denotes the location
> where the archive is extracted).
> The diff file (diff t01.out of v.3.4.6 and that of v.4.2.2) is
> cited below. For your reference, the t01.out files of the both
> version are attached.
>
> Any remedies would be highly appreciated to treat v.4.x.x
> outputs with Jmol.

The problem will be looked at.

Egon

-- 
[EMAIL PROTECTED]
PhD on Molecular Representation in Chemometrics
Nijmegen University
http://www.cac.sci.kun.nl/people/egonw/
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