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The results of a PDF analysis are stored in a NetCDF file whose main variables are namely:
- r: the distances in nm at which the PDF, the RDF and the TCFare computed,
- pdf-XY-intra: the intramolecular partial PDF for species X and Y,
- pdf-XY-inter: the intermolecular partial PDF for species X and Y,
- pdf-XY: the partial PDF for species X and Y (intramolecular and intermolecular),
- rdf-XY-intra: the intramolecular partial RDF for species X and Y,
- rdf-XY-inter: the intermolecular partial RDF for species X and Y,
- rdf-XY: the partial RDF for species X and Y (intramolecular and intermolecular),
- tcf-XY-intra: the intramolecular partial TCF for species X and Y,
- tcf-XY-inter: the intermolecular partial TCF for species X and Y,
- tcf-XY: the partial TCF for species X and Y (intramolecular and intermolecular).
pellegrini eric
2009-10-06