Entered: Fri Sep 26 2014

Operating systems: Linux; MS Windows

Type: Binary; Source

Languages: Fortran

Distribution: Free GNU LGPL v3

Application fields: Characterization; Chemistry; Diffraction; Materials science; Powder; Structure


Description: CalcOPP is a program for the calculation of one-particle potentials (OPPs) from probability-density functions in 2D. It accepts well-formed STF files as generated by JANA2000 or JANA2006. The input file has to contain PDF data sampled on a uniform grid. CalcOPP can only use 2D data from a single slice. The output is a generic ASCII file of space-separated values giving x, y, PDF (with error, if a map was supplied) and OPP value (with error, if a map was supplied) for every grid point. It is fit for plotting with most modern applications (e. g., QtiPlot or Origin).



Last updated: 26 Sep 2014