The main program for MOLSCAT declares one large
array, X, which is held in
COMMON/MEMORY/. DRIVER and other
routines then partition up the X array according to
the size of the scattering problem being tackled. Thus, very few
of the arrays used internally by MOLSCAT are
explicitly dimensioned, and it is seldom necessary for users to
concern themselves with array dimensioning. If
MOLSCAT finds that the X array is not
big enough, it will (in most cases) print an error message and
exit tidily; it is then necessary to re-run the program with a
larger X array declared in the main program. Note
that the error message specifies the storage required for the
current allocation; additional storage may be needed for
subsequent allocations.
There are a few exceptions to this, concerning arrays which are
either input as data or are in COMMON, and thus
cannot be flexibly dimensioned. Restrictions arising from the
dimensions of these arrays have been described in this manual.
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