Hello all, I wanted to simulate an ultracold electron-ion system and for that, I used Langevin thermostat using the fix langevin command. But I was not able to achieve the desired temperature i.e. 1 kelvin. Is there any limitation of langevin thermostat, Or am I doing something wrong ? Here is the command which I used in my input script fix eq2 all nve fix lang1 all langevin 1 …

Dear Developers & Users, I am using fix smd, and have a little confused about the best choice of K constant and velocity. Also, in the output terms, I wonder how is the “reference distance” is computed? and how does it differ from the “spring distance”? Whether we should keep the “reference distance” closed to the “spring distance” during steered simulation? Or any practical…

Hi All, I am trying to build a new subroutine from scratch in LAMMPS and I need to access the neighbours list for a given atom for the same. Can anyone tell me how can I get the list of neighbour atoms to a given atom in the C code? I know the index of the atom whose neighbors I want. 1 post - 1 participant Read full topic

Hi, I am using lammps(29Sep21) as a shared library and running python on my mac. I meet an error when I try to execute “pair_coeff” command: from lammps import lammps import numpy as np lmp = lammps() lmp.commands_string(""" units metal dimension 3 boundary p p p timestep 0.002 atom_modify map array sort 0 0.0 read_data NiFe_65.dat group Ni type 1 group Fe type 2 mass…