[lammps-users] Modification of calculation of Radial Distribution Function

I have attached a pdf of lammps input file in which i have computed radial distribution function rdf of Ag atoms using lj potential. What changes i have to made if i want to do same work with yukawa potential? Please guide me.

rdf.pdf (216 KB)

A few notes first assuming that you are new to mailing lists and their unwritten rules and conventions (some hints for LAMMPS you can find here: https://www.lammps.org/mail.html and here: https://www.lammps.org/guidelines.html

It is not necessary to create a PDF file to simply represent text (like the body of an email). It increases the effort to read your question and thus significantly lowers your chances to get a response.

Furthermore, it is considered impolite to post the same identical question multiple times in short succession. Just wait a couple of days after the first attempt to see if you get a reaction. and then it is rarely helpful to ask the identical question, but try to make it more attractive to respond. If you must repost because of making a substantial correction, please add a note what the correction is and why the correction is needed. If you are uncertain about the e-mail being sent to the list, please monitor the mailing list archive on sourceforge or on the matsci.org forum. Even if the post from the mailing list may not show up in your inbox it will show up on those within a few minutes (or a few hours, if there are issues with the sourceforge e-mail or web servers).

When people don’t respond (and specifically don’t respond quickly) that often has one of the following reasons:

  • it is too much effort to read your question or the provided information
  • people don’t know what to answer
  • your question is not well posed or there is no question at all
  • people think the answer is self-evident, or a sign of significant lack of studying the documentation

In this case, I would speculate that the last option on that list is the most likely reason: to use a different potential for pairwise interactions you have to (obviously) change the pair style and (also obviously) use different pair coeff settings that are appropriate to represent the system you intend to simulate. Finding such parameters usually requires some research, most commonly of the published literature relevant to your area of research or related text books.