hi，there。
i am confused with chunk/chunks and bin/bins these days?
can you help me with that?
what is a chunk? yeah , i know it is a collection of atoms , but how should i cope with that when it is referred by other commands or
what is bin? what about spatial bin?
should i turn to a book on MD theory or on computation?
hi，there。
i am confused with chunk/chunks and bin/bins these days?
can you help me with that?
what is a chunk? yeah , i know it is a collection of atoms , but how should
i cope with that when it is referred by other commands or
chunks are a general method to partition atoms in LAMMPS.
what is bin? what about spatial bin?
chunks are an invention of steve in order to reduce the proliferation
computes/fixes that allow to partition the atoms into different groups
and then compute/average properties over these groups. to use chunks
for spatial binning, you just need to assign chunk ids to atoms
according to which bins they belong to. this can be easily done with
different geometries, simply by adding features to compute chunk/atom.
all computes that compute properties for chunks now automatically work
with all mappings.
should i turn to a book on MD theory or on computation?
reading the LAMMPS documentation, particularly compute chunk/atom should do.
axel.