Dear all
I modify a eam potential parameter files, then ,when i run the script, computer prompts “lmp_mpi.exe has stopped working”. and the simulation ran on the Windows System.
who can tell me how to avoid this situation?
man wang
phd student
harbin engineering university
doctor, doctor, it hurts when i do this!
well, don’t do this then!
but seriously, when LAMMPS crashes because you modified a potential file, and it didn’t crash before, then there is a very high chance, that your editing was not correct. most of the time, your edited file does no longer conform to the expected format.
axel.
thank you very much. I have solved this problem by rebuilding the crystal,the alloy is NiTi, for tow elements,how to set masses?
man wang
phd student
harbin engineering university
thank you very much. I have solved this problem by rebuilding the
crystal,the alloy is NiTi, for tow elements,how to set masses?
a) if you are using eam potentials, they should be included in the files
b) how about reading the manual? there is a "mass" command. is that too
obvious?
axel.