External module function ro_calc - used by chrgplt, charges

In order to calculate more complex charge densities, the optional function rocalc may be present in the module file *.so. If present, it will be used by programs chrgplt, charges:

extern "C" double ro_calc(double & teta,double & fi,double &R,Vector &aLlm,  double *gJ,Vector &MODPAR,char **sipffilename);

Note for windows users with MINGW the declaration should be extern "C" __declspec(dllexport) double ro_calc(...).

The meaning of the symbols is as follows:

  on input
    teta, fi, R(Angsgtroem) .... spatial position in spherical coordinates
    gJ          Lande factor
    MODPAR      Vector with Parameters  read in single ion property file
    sipffilename    file name of the single ion parameter file
    aLlm          single ion moments =expectation values of
                coefficients of Zlm F(r) at a given temperature T and
                effective field H
on output
  double ro_rocalc ... the charge density

The module function must perform the following tasks:

  1. calculate the charge density for plotting



Martin Rotter 2017-01-10