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Description of the Libraries

The library SAI presented in this paper aimed to the spin-angular integration for any one- and two- paricle operator. It is a separate unit and can easily be adapted to existing applications such as the MCHF atomic structure package [1,11] or can easily be used to create a new one. It contains five modules - SAI_RECLS, SAI_SQLSF1, SAI_SQLSF2, SAI_NORE and SAI_DUDU. They are classified according to the methodology presented in papers P1-P4 [3,4,5,6], and adhere to the principles of modular programming (although FORTRAN 77 does not fully support this).

We will discuss briefly the new libraries and subroutines contained therein. The authors do not attempt to describe in detail all the subroutines belonging to separate libraries. In order to give the reader a more complete view of the implementation of methodology, published in papers P1-P4 [3,4,5,6], only the main subroutines are described. Special attention is given to the description of subroutines that other programs must call for use of this library. The subroutines described in more detail can easily be used separately from the complete library SAI, too. These subroutines are useful for creating new programs or modifying old ones, even those based on the traditional methodology of angular calculations described by Fano [2].



Subsections
next up previous
Next: SAI_RECLS Up: The Library for Integration Previous: The Electrostatic Electron Interaction,
2001-12-07