Lammps Developers,
I noticed that the restart2data tool does not handle the new reax/c pair style. I added the line:
} else if (strcmp(style,"reax/c") == 0) {
at line 1961 in /tools/restart2data.cpp, which fixed the problem for me.
Also, lammps/mpi is crashing when I try to read in restart files generated from a reax/c pair style simulation, giving me a "unable to read file" error. I suspect that lammps has a similar issue as the restart2data tool?
Ben Jensen
Computational Mechanics & Materials Research Laboratory
Mechanical Engineering - Engineering Mechanics
Michigan Technological University
Houghton, MI
Lammps Developers,
I noticed that the restart2data tool does not handle the new reax/c pair style. I added the line:
\} else if \(strcmp\(style,"reax/c"\) == 0\) \{
at line 1961 in /tools/restart2data.cpp, which fixed the problem for me.
yes. that should do it.
Also, lammps/mpi is crashing when I try to read in restart files generated from a reax/c pair style simulation, giving me a "unable to read file" error. I suspect that lammps has a similar issue as the restart2data tool?
it should no. this would be a problem of the implementation of
the restart writing and reading in the reax/c class. is this behavior
universal? or does it just happen for your specific case?
if the latter is the case, can you provide a way to reproduce it,
so that the authors (or somebody else) can have a look and
investigate and - hopefully - fix the issue.
cheers,
axel.