in.Cu_melt

# Lammps in file for melt of Cu

# software: 	sublimt_text3
# date: 		2020.07.02
# author:		ddw20191211 

echo screen

# 1. initiation

units 			metal
dimension		3
boundary		p p p
atom_style		atomic

# 2. Atom definition --data

lattice			fcc 3.61
region			box block 0 4 0 4 0 4
create_box		1 box
create_atoms	1 box


# 3. Setting
#	3.1 force-field parameter

pair_style		eam
pair_coeff		* * /home/ddw/compute/lammps-7Aug19/potentials/Cu_u3.eam

#	3.2 simulation parameter

neighbor		0.5 bin
neigh_modify	every 5 check yes

# variable 		N equal abs(floor(x[100] + 100000))
velocity		all create 100 123456789 dist gaussian


#	3.3 fix command

fix 			1 all nvt temp 100.0 50.0 1.0

# 	3.4 dump

thermo 			100
dump 			1 all custom 100 Cu.lammpstrj id type x y z

log 			Cu.log

# 4. Run

timestep		0.001
run  			10000