log                 log.lammps
# Initialization
units				real
boundary			p p p
atom_style			full

# Force Fields
neighbor			$neigh_args
neigh_modify		$neigh_modify_args
special_bonds		$special_bonds_style $special_bonds_value
bond_style			$bond_style $bond_style_args
angle_style			$angle_style
dihedral_style		$dihedral_style
improper_style		$improper_style
pair_style			$pair_style $pair_style_args
pair_modify         $pair_modify_key $pair_modify_value
kspace_style		$kspace_style $kspace_style_args

read_restart		$restart_filename


$group_definitions
velocity			all create $temperature_initial $velocity_seed
$shake_logic fix	1 $shake_group shake 0.0001 20 0 $shake_topologies
fix 				2 all npt temp $temperature_initial $temperature_final $temp_damp $pressure_type $pressure_initial $pressure_final $pres_damp
thermo				$thermo
thermo_style		custom step temp press pe lx vol density
timestep			$timestep
reset_timestep		0
dump				1 all custom $dump_period $dump_filename id type element mol x y z ix iy iz xu yu zu vx vy vz fx fy fz mass q
$dump_modify_logic dump_modify			1 $dump_modify_args $dump_modify_elements
restart				$restart_period $restart_intermediate_filename
run					$run
$shake_logic unfix 	1
unfix				2
write_restart		$restart_final_filename
write_data 		    $data_final_filename
