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A tool for calculation of diffraction patterns for atomistic models

Debyer is software for calculation of diffraction patterns and PDFs from a set of atomic positions. 
Typically, the atomic positions are:
- the result of molecular dynamics or other simulations, 
- or simply a geometrical model of investigated structure (i.e. just positions are generated, no interactions or time evolution -- such modeling is sometimes used in analysis of experimental diffraction data).
Even tens of millions of atoms can be handled.

Source Files

Filename Size Changed Actions
debyer-0.2.tar.gz 165 KB Download File
debyer.spec 1.48 KB Download File

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