Dear All,
I have lammps 29Sep21 installed.
I’m trying to simulate a nano fluid of a ethylene glycol and copper.
I get this error when I try to run the input file below.
ERROR: Incorrect args for pair coefficients (…/pair_eam.cpp:377)
What am I doing wrong?
Input file:
------------------------ INITIALIZATION ----------------------------
units real
dimension 3
boundary p p p
atom_style full
bond_style harmonic
angle_style harmonic
variable latparam equal 5.0553
----------------------- ATOM DEFINITION ----------------------------
region whole block -50 50 -50 50 -50 50 units lattice
create_box 4 whole bond/types 9 angle/types 14 extra/bond/per/atom 9 extra/angle/per/atom 14 extra/special/per/atom 10
lattice fcc ${latparam} orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
molecule ethylene_glycol lammps.data
create_atoms 0 region whole mol ethylene_glycol 52874 ratio 0.035 74637
region nanoparticle sphere 0 0 0 3.5 units lattice
lattice fcc ${latparam} orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
create_atoms 4 region nanoparticle
mass 1 12.011 #O
mass 2 15.999 #C
mass 3 1.008 #H
mass 4 63.546 #Cu
------------------------ FORCE FIELDS ------------------------------
pair_style eam/fs
pair_coeff * * Mendelev_Cu2_2012.eam.fs Cu
OR USING pair_coeff 4 4 Mendelev_Cu2_2012.eam.fs Cu
Thank you for your time.
Best regards,
Yunes Salman
