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If both calculation and printing of Z density profiles has been
requested (by selecting directives zden and print rdf in
the CONTROL file Z density profiles are printed out as the last part
of the OUTPUT file. This is written by the subroutine ZDEN1.
First the number of time-steps used for the collection of the
histograms is stated. Then each function is given in turn. For each
function a header line states the atom type represented by the
function. Then and are given in tabular form.
Output is given from
where L is the length of the MD
cell in the Z direction and is the mean number density.
is the running integral from to of
.
Note that a readable version of these data is provided by the
ZDNDAT file (below).
W Smith
2003-05-12