Dear
all users
I am simulating interaction between Fe nanoparticles using the latest version of LAMMPS (3March20).I have added MANYBODY packages. But i am facing a problem while running the input file and an error occurs:
ERROR: Illegal pair_style command (src/MANYBODY/pair_eam.cpp:361)
Last command: pair_style hybrid eam/alloy lj/cut/coul/long 10
The input file is:
Intialization
units metal
dimension 3
boundary p p p
atom_style full
Atom Definition
read_data data.lammps
replicate 1 1 1
#The SPC/E water potential
#pair_style eam/alloy
pair_style hybrid eam/alloy lj/cut/coul/long 10
pair_coeff * * eam/alloy Fe_Mishin2006.eam.alloy Fe Fe NULL
1kcal/mol = 0.0433 ev
#pair_style lj/cut/coul/long 10 10
kspace_style pppm 1.0e-4
pair_coeff 3 3 lj/cut/coul/long 0.00672 3.1533
pair_coeff * 2 lj/cut/coul/long 0.00000 0.0000
pair_coeff 1 3 lj/cut/coul/long 0.00500 3.0000
bond_style harmonic
angle_style harmonic
#dihedral_style none
#improper_style none
bond_coeff 1 100.00 1.000
angle_coeff 1 100.00 109.47
#special_bonds lj/coul 0.0 0.0 0.5
neighbor 2.0 bin
neigh_modify every 1 delay 0 check yes
fix RigidOHBonds all shake 0.0001 20 0 b 1 a 1
Settings
velocity all create 300 4928459 rot yes mom yes dist gaussian
#fix ensemble all nvt temp 298.15 298.15 100 tchain 1
fix integrate all npt temp 300 300 100.0 iso 1 1 1000.0
timestep 0.001
Output
restart 10000 restart.water
dump 1 all custom 2000 dump.lammpstrj id type x y z
#compute myRDF all rdf 50 1 1
#fix 1 all ave/time 100 1 100 c_myRDF file tmp.rdf mode vector
#dump dumpXYZ all xyz 500 water-dump.xyz
thermo_style custom step temp etotal pe press vol density
thermo 1000
Run the simulation
run 1000000
Help will be highly appreciated.