Dear lammps users,
I am trying to run a simulation with particles interacting by Morse potential
only.
It is giving me ERROR : incorrect argument for pair coefficients. Up to how
many decimal point I can keep for the pair coefficients ?
This is my input file:
clear
units real
#Defining the different potential types
pair_style morse/opt 3.0
atom_style full
read_data mica-clff.lammps05
pair_coeff 1 1 0.3439800143241882 13.80000019073486
2.859499931335449
pair_coeff 2 2 0.3321000039577484 11.90709972381592
3.891499996185303
pair_coeff 3 3 0.2955999970436096 11.71389961242676
3.410300016403198
pair_coeff 4 4 0.5363000035285950 10.41119956970215
3.783499956130981
pair_coeff 5 5 0.00003795999873545952 12.00000000000000
3.347199916839600
pair_coeff 2 3 0.0000000000000000 8.773200035095215
4.094900131225586
pair_coeff 2 4 26.03000068664551 9.782999992370605
1.777500033378601
pair_coeff 3 4 46.00000000000000 8.302200317382813
1.624799966812134
pair_coeff 4 5 19.54999923706055 8.439399719238281
1.077000021934509
pair_coeff 2 5 none
pair_coeff 3 5 none
pair_coeff 1 5 none
pair_coeff 1 4 none
pair_coeff 1 3 none
pair_coeff 1 2 none
#Data Reading and neighbouring information
neighbor 2.0 bin
neigh_modify every 1 delay 0 check yes one 40000 page 2000000
#Minimization
min_style cg
dump 1 all xyz 100 dump_mminintftest.xyz
minimize 0 1.0e-8 5000 5000
undump 1
write_restart restart_minmintftest.300
Thank you very much,
Mousumi