Hello everyone I ran the following dpd simulation. If you want to find the diffusivity according to the msd value and obtain the slope value by displaying the graph, it is different from the paper value. Can I get some advice on this? input_1.txt (1.1 KB) log.lammps (24.1 KB) 1 post - 1 participant Read full topic

Dear LAMMPS users, I’m using lammps (23 Jun 2022) to simulate CVD on graphene. In my system, there is a flat graphene layer and benenze molecules are deposited continuously. Somehow, calculation get stuck after 7500 steps with no error generated. The top command shows the job is still running, with the cpu fully occupied. However, the log.lammps file stops updating. Then I tried…

I am trying to apply an ellipsoidal region in my granular simulation in two-dimensional geometry. The circular region is working fine but somehow ellipsoidal region is not working. Can someone please help me in this direction? 1 post - 1 participant Read full topic

Dear lammps, I ran the couette flow with the dpd thermostat working. It was confirmed through the log file that the temperature converged to 0.7 even though the temperature was set to 1.0. I want to set the temperature to 1.0, but is there any way? Or is it difficult to keep the temperature consistent because the couette flow is speeding up the wall? I would be grateful if you …

Hi, all, I am trying to put atoms that meet a certain boolean condition to a group called “inwardatom”. This is the code: variable eatom2 atom “(v_DH>50e-6)&&(v_inOut<0)” group inwardatom variable eatom2 The error message says: ERROR: Illegal group command (group.cpp:341) Can anyone tell me what causes it? Thanks a lot! 1 post - 1 participant …