Dear lammps developers and users,
There is any plan for an implementation of a rdf/chunk feature?
I am trying to perform the rdf on different regions of the simulation box separately. Apart from post processing, I found no way to do on the lammps input script.
My try was with dynamical groups on the desired regions, but I had no luck making it work.
Any tips on how to do with the current version?
Best Regards,
Dear lammps developers and users,
There is any plan for an implementation of a rdf/chunk feature?
I am trying to perform the rdf on different regions of the simulation box
separately. Apart from post processing, I found no way to do on the lammps
input script.
My try was with dynamical groups on the desired regions, but I had no luck
making it work.
Any tips on how to do with the current version?
there is a big problem with what you are asking about: how to account
for pairs where one atoms inside your desired region and the other
outside? how would you define the normalization? the way how the
(spherical) g(r) is defined assumes spherical symmetry, which is no
longer given, when you use regions.
axel.