Dear Lammps users,
I am trying to build a system of polymer containing spin particles and adding a magnetic moment. I tried to use the
pair_style hybrid molecular spin
but I have segmentation fault as output and no explanation. The system I built is a toy model and it is composed by two polymers where for each polymer there is one atom that has a bigger spin.
Do someone tried to build a system like this one or knows where to find an example?
Thank you to all very much
I attach the code that I wrote:
pe.in:
units metal
dimension 3
boundary p p p
atom_style hybrid molecular spin
atom_modify map array
log log.txt
read_data pe.data
pair_style hybrid/overlay lj/cut 10.0 spin/dipole/cut 8.0 spin/exchange 3.5
pair_coeff * * lj/cut 0.01 2.0 10.0
pair_coeff * * spin/exchange exchange 5.4 0.1 0.2171 1.841
pair_coeff * * spin/dipole/cut 8.0
neighbor 0.1 bin
neigh_modify every 10 check yes delay 20
#####################################################
fix 1 all precession/spin zeeman 10.0 0.0 1.0 0.0
fix_modify 1 energy yes
fix 2 all langevin/spin 200.0 0.1 321
fix 3 all nvt temp 200.0 200.0 0.001
timestep 0.0001
dump 1 all custom 100 traj.lammpstrj id type element x y z
run 10000
pe.data:
Model
10 atoms
2 atom types
0.0000 18.5000 xlo xhi
0.0000 18.5000 ylo yhi
40.0000 60.0000 zlo zhi
Masses
1 14.02
2 30.02
Atoms
1 1 5.6240 5.3279 51.6059 1 0.1 0.0 0.0 0.0
2 1 7.4995 7.4810 50.2541 1 0.1 0.0 0.0 0.0
3 1 8.2322 8.0236 51.2149 1 0.1 0.0 0.0 0.0
4 1 9.6108 9.9075 51.7682 1 0.1 0.0 0.0 0.0
5 2 11.5481 11.3690 50.4167 1 1.0 0.0 0.0 0.0
6 1 12.9409 13.4562 50.2481 2 0.1 0.0 0.0 0.0
7 1 14.4708 14.8569 50.0868 2 0.1 0.0 0.0 0.0
8 1 16.1916 16.4790 50.5665 2 0.1 0.0 0.0 0.0
9 1 17.1338 17.6853 51.8189 2 0.1 0.0 0.0 0.0
10 2 19.1109 19.4000 50.3869 2 1.0 0.0 0.0 0.0