Hello everyone, I have been getting the error ‘ERROR: Incorrect args for pair coefficients (…/pair.cpp:805)’. I am using LAMMPS (29 Sep 2021 - Update 2) and part of my script and error can be found below. I have read other messages with the same errors, however when I checked the documentation and the args for pair_coeff, but I could not find the problem. I would appreciate it if I could get your help understanding the problem.
Part of the script;
units metal
atom_style full
read_data full.data
pair_style hybrid buck/coul/long 5.5 10.0 sw
pair_coeff * * sw PO.sw P O O
pair_coeff * * sw PO.sw O P P
pair_coeff 1 1 buck/coul/long 1844 0.3436 192.58 # O-O
pair_coeff 1 2 buck/coul/long 27722 0.1819 86.860 # O-P
Error;
LAMMPS (29 Sep 2021 - Update 2)
Reading data file …
orthogonal box = (-0.012501000 0.0015000000 -0.021000000) to (28.657499 28.671500 28.649000)
2 by 2 by 2 MPI processor grid
reading atoms …
1700 atoms
Finding 1-2 1-3 1-4 neighbors …
special bond factors lj: 0 0 0
special bond factors coul: 0 0 0
0 = max # of 1-2 neighbors
0 = max # of 1-3 neighbors
0 = max # of 1-4 neighbors
1 = max # of special neighbors
special bonds CPU = 0.001 seconds
read_data CPU = 0.011 seconds
ERROR: Incorrect args for pair coefficients (…/pair.cpp:805)
Last command: pair_coeff * * sw PO.sw P O O