Hi lammps users,
I’m trying to simulate a reactive hydrocarbon system at high temperature, everything goes well, except I use the “fix reax/c/species” command looking for the species. I use the command:
"fix spec all reax/c/species 1 1 1000 spec_test.out "
it also can work, however, if I change Nrepeat to 1000 like
"fix spec all reax/c/species 1 1000 1000 spec_test.out "
The error then happened:
“ERROR: Illegal fix ave/atom command (…/fix_ave_atom.cpp:139)”
I have tested the case if I change the Nrepeat to another value like “100” or “999”, it still can work well. So my question is why does this error happen ? I also attached a test case for you to repeat my error.
Any help is appreciated, and thank you in advance.
fix_reaxc_bugTest.tar.gz (44.2 KB)