Radial Distribution Function (RDF) Calculation in LAMMPS

preview_player
Показать описание
The "compute rdf" command define a computation that calculates the radial distribution function (RDF) and the coordination number for a group of atoms. Both are calculated in histogram form by binning pairwise distances into Nbin bins from 0.0 to the maximum force cutoff which can be manipulated by user.
Рекомендации по теме
Комментарии
Автор

sir when i calculated rdf by lammps the peak for some atoms are very high especially for those atoms which concentration is low, sir how i could decrease the peak value. thank you so much sir

abidullah
Автор

hope this massage will find you in good health, i am facing problem related to RDF, i am simulating epoxy resin model using lammps, my system consists of C, N, O, H, i want to find out inter atomic distance between C---C, N--C, C---H using rdf, but distance which i get from rdf are larger than the inter atomic distance, my force field is oplass force field, i also try rerun method but still the problem is not solved
any help will make my lifesave.
thank you
your sincerely
Abid

abidullah