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rdf-com-xyz

This program calculates COM radial distributions for molecules in XYZ file.

cp2k-rdf

This fortran program reads xyz file and calculates center of mass radial distributions. The center of mass coordinates are calculated automatically. The rdf.par file is required to include a number of molecular types, a number of atoms for each molecule in order of xyz file, a distance withing the radial distributions should be estimated, a number of bins, and box dimensions.

compile

In order to compile the program: gfortran rdf_com.f