Dear Lammps users,
I am trying to simulate thermal equilibrium of NiTi b19’ phase at a certain temperautre(10K). However, I am keep having a message that says “lost atoms: original 14238 current 14237 (thermo.cpp:385)”. Basically, I am setting atoms in correct positions and controlling temperature using “fix nve” and “fix temp/rescale”. Once this problem is fixed, I am planning to increase and decrease temperature using the same commands(fix nve & fix temp/rescale)
Can anyone tell which part of my code is causing the problem?
Currently, my boundary condition is (s s s) when I am losing atoms. If boundary condition is changed to (p p p), losing atom problem does not occur.
I appreciate you help.
I am attaching my code as following;