Radial Distribution Functions

If both calculation and printing of radial distribution functions have been requested (by selecting directives rdf and print rdf in the CONTROL file) radial distribution functions are printed out. This is written from the subroutine RDF1. 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 types (`a' and `b') represented by the function. Then $r,~g(r)$ and $n(r)$ are given in tabular form. Output is given from 2 entries before the first non-zero entry in the $g(r)$ histogram. $n(r)$ is the average number of atoms of type `b' within a sphere of radius $r$ around an atom of type `a'. Note that a readable version of these data is provided by the RDFDAT file (below).