[cml/ccml-discuss] CML Wiki updates

[peter murray-r. <pm...@ca...>]

A number of topics have been added to the wiki:

1 New Elements
1.1 tensor
1.2 kpoint and kpointList
2 New General Attributes
3 Re-use of general attributes
4 Attribute changes on elements
5 Change of content model
6 re-architecture of schema
7 TODO list
7.1 latticeVector
7.2 kpoint
7.3 tables
7.4 3D geom
7.5 transformations
7.6 molecular dynamics
8 commentaries
8.1 parameters, metadata, scalar
8.2 dictRef and dictionaries
8.3 numeric data
see:

http://cml.sourceforge.net/wiki/index.php/Requests_and_comments

Schema2.3 has now been tested against the output of 2-3 computational 
codes and we are thinking of freezing it at shortly (renamed as 
schema2.4) and would be grateful for comments on the current schema.

We also intend to post our collection of scientific units shortly.

P.




Peter Murray-Rust
Unilever Centre for Molecular Sciences Informatics
University of Cambridge,
Lensfield Road,  Cambridge CB2 1EW, UK
+44-1223-763069