Pair_style Table

LAMMPS LAMMPS Mailing List Mirror
1

Dear All

I have used pair_style table command to incorporate a modified lj potential into LAMMPS for simulating a binary mixture. I have verified the output table using pair_write command and it looks fine. But my simulation is stopped after a few steps as the temperature of the system shoots up. I have attached my input script and the input files i have used along with this mail. Can you please tell me what I am doing wrong?

in.first (1.13 KB)

ll.table (99.8 KB)

ls.table (100 KB)

ss.table (99.5 KB)

2

Dear All

I have used pair_style table command to incorporate a modified lj potential
into LAMMPS for simulating a binary mixture. I have verified the output
table using pair_write command and it looks fine. But my simulation is
stopped after a few steps as the temperature of the system shoots up. I have
attached my input script and the input files i have used along with this
mail. Can you please tell me what I am doing wrong?

can you please try to think of ways to figure it out by yourself.

did you do the test with a plain 12-6 lj potential to reproduce the
melt example from a table, as i suggested?

axel.