Hello,
I am trying to use shifted periodic boundary conditions in LAMMPS by following the recipe of Weingarten et al. (attached it) but I got an error message which states this is an illegal boundary command. I am using the latest version. Is there anyone else having the same problem ? In the documentation they clearly claim that this feature is added in LAMMPS.
Best
ADA623365.pdf (455 KB)
Hello,
I am trying to use shifted periodic boundary conditions in LAMMPS by
following the recipe of Weingarten et al. (attached it) but I got an error
message which states this is an illegal boundary command. I am using the
latest version. Is there anyone else having the same problem ? In the
documentation they clearly claim that this feature is added in LAMMPS.
please note, that there is a big difference between having a feature
implemented in LAMMPS and having that feature contributed back into the
publicly distributed version of LAMMPS. there are a gazillion of hacks and
features for LAMMPS that are not in the version of LAMMPS that you can
download from the sandia webpage or through the official github repository.
the canonical source to tell you whether a feature is available, is the
bundled LAMMPS documentation. no feature is accepted into the LAMMPS
distribution without adding documentation for it.
so if LAMMPS produces an error message and the feature is not documented,
it is not available except directly from the author.
if the feature is documented, but you have an input that is conforming to
it, then this is a bug in LAMMPS and you should provide a minimal input
reproducing this bug.
axel.