UPDATE

So it probably been over a year since I last updated this page and it just so happens that it is completely out of date. This is not to mean that I stopped working on it, in fact the library discussed herein has been expanded tremendously.

Very shortly this page will be completely replaced with a new, completed one.

A Shared Library Infrastructure

Building on top of the previous tutorial I have gone and taken an extraordinary leap forward. What I have done is extended the topic of the previous tutorial into a more complete framework.

What has currently been completed?

Quite a bit has been coded both for infrastructure and some actual useful things. There is still a lot that needs to be completed especially in the infrastructure side of things.

Here is a list of items currently completed or in progress:

• OrbClient

  Provides methods and objects for interfacing to all other Orb libraries and any/all global objects.

• Orb

  This is the "main" Orb shared library. It provides all base interfaces and methods used in all other libraries.

• OrbInts

  This is my integrals package (not complete). At this moment I have overlap, kinetic, potential, and dipole moment integrals are coded and tested for Cartesian basis. Currently coding two-electron repulsion integrals and transformation into spherical basis.

• OrbInputParser

  Currently interprets rudimentary Pascal program files. I am now devising the best way to interface it completely with Orb allowing it to instantiate Orb interfaces in the program files. The ultimate goal would be once OrbInts is completed be able to interpret a Pascal program file that is a SCF program.

• OrbMath

  Will provide a means of easily interfacing to BLAS and LAPACK library. Currently only matrix-matrix multiplication is completed. No point to put a lot of work into it until OrbInts is complete.

• OrbIO

  I want to write a library of file I/O routines to be used through out Orb.

Last modified: 24 May 2005