Dear lammps user, My lammps version is 29 Oct 2020 . I would like to ask a question: Is there a command in LAMMPS where it can change the size of the particles during the simulation? For example, can someone start from ellipsoid particles with an aspect ratio 1. Then, increase the diameters during the run as (1.5,1,1) , (2,0,0) , (2.5,1,1) , (3,1,1) ending up in setting a rando…

Hello, I’m simulating a system with 418497 atoms (C, H, O, Si) with ReaxFF force field in Lammps. However with the default pair_style reax/c keywords we got segmentation fault… This problem happens only if H bonds are taken into account. If I turn off H bonds with hbond_cutoff = 0.0 everything runs smoothly. However since H bonds don’t take much computational resources I wish t…

Hello, I defined two different groups in the input file and for the second group, I considered velocity 20 times as much as the first group, but the result did not change. This Part in my input file: group all-PF6 type 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 18 19 20 21 22 23 24 25 26 27 28 group PF6 type 16 17 velocity all-PF6 create 293 12345 mom yes rot yes dist gaussian veloc…

I encountered to what seems to me two bugs in restarting with fix deform command. To understand them a quick recapitulation of what lammps is doing during a timestep for what is important to us in this bug report: Update velocities: v(t+dt/2) = v(t) + f(t)*dt/2 <= This assumes we know the forces from the previous timestep! Update positions: x(t+dt) = x(t) + v(t+dt/2)*dt …

Hi all, I am trying to use AMBER Potential in LAMMPS. But, I’m getting the following error. Has anyone used amber potential recently? Thanks in advance. LAMMPS (12 Dec 2018) units real atom_style full pair_style lj/cut/coul/cut 8.0 10.0 bond_style harmonic angle_style harmonic dihedral_style harmonic #improper_style harmonic #kspace_style pppm 0.0001 read_data data.c1.…

Hello All, I am using the version 27 May 2021. I am currently working on creating an amorphous H2O model for further simulation. Below are the relevant codes: region 1 prism -51.3425 40.9055 -4.23577 50.4014 -28.5905 41.6218 -30.416 -0.01851 3.03E-15 create_box 5 1 bond/types 3 angle/types 1 extra/bond/per/atom 1 extra/angle/per/atom 1 extra/special/per/atom 1 create_atoms 4 ra…