Entered: Fri Jan 04 2019
Operating systems: Linux; MS Windows
Type: Binary; Source
Languages: Fortran; Python
Distribution: Free MIT License
Application fields: Characterization; Chemistry; Crystal chemistry; Diffraction; Inorganic chemistry; Materials science; Powder; Structure
Description: CalcOPP is a program for the calculation of effective one-particle potentials (OPPs) from a PDF sampled in 2D or 3D by JANA2006 or from the MEM-reconstructed scatterer density sampled using Dysnomia (under certain additional conditions). It can also reformat 2D PDF input and handle the associated error maps.