Hi Steve,
Many thanks for your comments. But for the first question, you may like to run attached simple example. The simulation can not run with the basis-1.cor, but everything is ok with the basis-2.cor, although these two files contains the same basis atoms.
Best,
Junjie
input.tar.gz (16.1 KB)
Hi Steve,
Many thanks for your comments. But for the first question, you may like to
run attached simple example. The simulation can not run with the
basis-1.cor, but everything is ok with the basis-2.cor, although these two
files contains the same basis atoms.
that is because your basis-1.cor file has an "&"
at the end of the last line and thus combining its
content with the *next* input line from your in.test
file and thus giving an error.
sorry, but this is not LAMMPS' fault but a case of PEBCAC.
LAMMPS is doing exactly what it claims it does.
axel.