[Molecularmechanics] CML info on the Wiki

Peter Murray-Rust molecularmechanics@tddft.org
Mon, 01 Dec 2003 18:18:06 +0000


We have now autogenerated Wiki pages from *all* the 
elements/attributes/dataTypes in CML and these are available at 
http://wwmm.ch.cam.ac.uk/moin/CmlSchemaComponents.

There about 200 schema components in all and although quite a few are 
irrelevant to FSATOM this indicates the scale of the problem that is 
involved. There are a number of additional components that still need to be 
added such as <multipole>.

We have also developed a code generator which has been used to create the 
Wiki. We are also hacking Java and C++. and would be interested to have a 
look at python when this is needed.

Best

Peter