Dear fellow LAMMPS-user,
I’m in the process of making a new compute function, and I’d like to access the shear history list that is being used in my pair style. I have seen example of how to define a new neighbor list (i.e. through int irequest = neighbor->request((void *) this); and so on), but I’d like to know if it is possible to request the same list that my pair style uses, so I can access its shear history, or if there is another efficient way of passing the list around (e.g. through an extract()?).
Thanks in advance,
Martijn van den Ende
Dear fellow LAMMPS-user,
I'm in the process of making a new compute function, and I'd like to access
the shear history list that is being used in my pair style. I have seen
example of how to define a new neighbor list (i.e. through int irequest =
neighbor->request((void *) this); and so on), but I'd like to know if it is
possible to request the same list that my pair style uses, so I can access
its shear history, or if there is another efficient way of passing the list
around (e.g. through an extract()?).
requesting an "occasional" list with the proper settings should do the
trick, however, this is an area where there have been significant
improvements and several important bugfixes *after* the version of
LAMMPS that you are using. i didn't want to state my opinion about
this policy before without having a good reason, but this is is
exactly where it shows its flaws. sticking to a specific version of a
code was a reasonably choice many years back with a more conventional
development scheme. but especially since LAMMPS has a working
continuous integration scheme with automated regression testing, the
quality of the individual development snapshots has improved a *lot*
and the corresponding stable releases are usually done on versions
where no serious bugs were found for at least a month. you definitely
want to have a version of LAMMPS that is newer than early 2013 here.
axel.