[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