How to modify the neighbor command?

Dear all,

I wish to do some peridynamic works. From the manual,the neighbor command files control the cutoff distance to make a list which contains for each atom i the indices of all
atoms j which are closer to i than a given distance. In the lammps, it uses a sphere to calculate the numbers of the neighbor atoms. Now , In the peridynamic models, I want to replace sphere with spheroid to make the neighbor list to reflect the property of the material. Regarding this I have some questions, although Qs are not really directly related to lammps issues yet please allow me.

  1. In our model,We will only use the neighbor bin command . I find 11 files about the neighbor command in the lammps folder? So I want to get help about which file is the correct one to modify.
  2. The neighbor command is the foundation of the following calculate , but I have no idea about whether I replace sphere with spheroi will affect another command. I want to know if I modify the neighbor command, should I modify another command to ensure the normal operation?

Thanks for your help and comment.

Wan

Dear all,

I wish to do some peridynamic works. From the manual,the neighbor command
files control the cutoff distance to make a list which contains for each
atom i the indices of all
atoms j which are closer to i than a given distance. In the lammps, it uses
a sphere to calculate the numbers of the neighbor atoms. Now , In the
peridynamic models, I want to replace sphere with spheroid to make the
neighbor list to reflect the property of the material. Regarding this I
have some questions, although Qs are not really directly related to lammps
issues yet please allow me.

1. In our model,We will only use the neighbor bin command . I find 11 files
about the neighbor command in the lammps folder? So I want to get help about
which file is the correct one to modify.

none. it is a bad idea to modify any of those unless you really,
really know what you are doing. a neighborlist contains _possible_
neighbors and is used as a measure to speed up the calculation, but
not part of the model. for as long as you write your new style in such
a way that it passes the largest radius of your spheroid shape
interaction as the relevant cutoff, the existing neighborlist code
should work for you.

2. The neighbor command is the foundation of the following calculate , but I
have no idea about whether I replace sphere with spheroi will affect another
command. I want to know if I modify the neighbor command, should I modify
another command to ensure the normal operation?

the core of the model are not the neighbor list, but pair styles.
please read the corresponding documentation, papers and source code
very carefully and then look at the section in the LAMMPS manual
explaining how to add a custom pair style and similar things.

axel.

what is the difference between a sphere
and a spheriod?

Steve