

     D O C U M E N T I O N   F O R   O U T E R   R E G I O N   C O D E

     Version 1.5                                  L A Morgan  Nov 1991
                                                  J Tennyson
     Updates                                      J. D. Gorfinkiel Aug 2019

        The code has the form of a subroutine library and users must
        either provide their own main routine or use one provided,  
        which makes calls to the modules required by their particular 
        application (see  examples in the test suite). 


     Modules
     _______
        The modules so far written, tested and documented are

        SWINTERF   interface between UKRmol+ inner and outer region codes
        INTERF     interface between diatomic inner and outer region codes
        INTERV     additional interface for reordering scattering channels
        RSOLVE     calculates K-matrices from R-matrices
        VIBRMT     sets up non-adiabatic vibrational motion run
        TMATRX     calculates T-matrices from K-matrices
        EIGENP     calculates eigenphases from K-matrices
        IXSECS     calculates integrated cross-section from T-matrices
        MCQD       multichannel quantum defects
        RESON      resonance searching and fitting
        BOUND      bound state search
        ROTIONS    rotational excitation of ions
        TDIP       transition dipoles
        TMATAD     Born approximation partial wave T-matrix elements
        TMATSUB    T-matrix conversion for certain polyatomic cases

        Modules for calculating differential cross-sections, vibrational
        wavefunctions (for diatomics) and others exist but are not yet documented.


     Notation
     ________

        [a|b] means " select either a or b "
        [a:b] means " select any value in [a,b]"
        [:]   means " select any value (of appropriate type)"
        [a:]  means " select any value greater than or equal to a "
        [:b]  means " select any value less than or equal to b "
        (a)   means "a" is optional
        !     denotes beginning of comments 

        UPPER_CASE_NAME denotes a specific entity (program or variable)
        FORMATTED output should not be used for very large datasets

