This is the first report about the exciting project, It has been an exciting time.
After we had announced on 9.9.2009 to release Hydrogen we had a busy time preparing everything for the 20th of September, where we officially put up the first public release.
Psik graduate school
We did create material for the Psik graduate school Bristol 2009 (20.9. - 26.9.2009), a workshop in which the new exciting program with the new xml input file format was taught for the first time to young researchers.
The current activities since include:
We are working on improving the input reference. The input reference is automatically generated from the schema but the documentation in the schema is not quite there where we would like to have it. Please send any suggestions or corrections to moc.liamg|grebmhc#naitsirhc
Github is the place where one can follow bug fixes and the current code activities. It may be worthwhile to check it out even if you don't plan to start developing immediately.
We are quite enthusiastic about the templating tools. The templates to set up large sets of calculations are described in
simple inputxml template, expand all parameter permutations. The newest addition is a template to expand values from a series (series expansion template).
Other codes using XML
Thomas Shulthess apparently has been advocating XML for scientific codes in the past also the use of XSLT.
https://wiki.fysik.dtu.dk/ase/ the atomic simulation environment is another example for an interesting tool written in python. We should interface exciting to it as well.
We provide an update release to Hydrogen which is hydrogen.9.10 which fixes few minor inconsistencies.
- Git hash in INFO.OUT and info.xml
- Input Documentation
This update is recommended. Download