CORBA interface for quantum chemistry programs

The goal of this project is to create a standarized protocol for interchaning data (both input and output) between various computational and quantum chemistry programs.
We chose to use the wrapper approach rather than source code modification, for obvious reasons - many of the software packages with which we are working do not come with source code. The need to be as general as possible and to avoid new bugs introduced by modifying existing and working source far outweigh the temptation to directly restructure the codes.

CORBA is a well-known and widely used client-server middleware solution. It is architecture and programming language neutral and although there are no Fortran 77 bindings, it can be used with existing Fortran codes when interfaced through another CORBA-aware language (C/C++/Java/Python etc.)


Piotr Rozyczko, 04.06.01