# =========================================================================
# Magnetized beam — Config B2
# Beam magnetized in +x, constant-gradient field with a small +y perturbation
# =========================================================================

variable    N       equal 258

# Beam geometry
variable    L       equal 25.8
variable    W       equal 1.21
variable    H       equal 0.49
variable    l0      equal $(v_L/v_N)

# Rectangular cross-section
variable    A       equal v_W*v_H
variable    I       equal v_W*v_H^3/12
variable    J       equal v_W*v_H/12*(v_W^2+v_H^2)

# Material properties
variable    E       equal 1.16e3
variable    nu      equal 0.49
variable    G       equal "v_E/(2*(1+v_nu))"

# Magnetization
variable    M       equal 0.941
variable    mu      equal v_M*v_l0*v_W*v_H

# =========================================================================
# Initialization
# =========================================================================

units           lj     # milli units
dimension       2
boundary        f f p
processors      * 1 1

atom_style      hybrid bpm/sphere dipole
special_bonds   lj 0.0 1.0 1.0 coul 1.0 1.0 1.0
newton          on off

neighbor        $(v_l0) bin
neigh_modify    delay 0 every 10000
atom_modify     sort 10000 1
comm_modify     mode single cutoff $(2*v_l0) vel yes

read_data       magnetic-beam-N${N}.lam

# Set dipole in +x direction
set             group all dipole ${mu} 0 0

# =========================================================================
# Groups
# =========================================================================

region          left block INF $(v_l0/2) INF INF INF INF
region          right block $(v_L-v_l0/2) INF INF INF INF INF
group           left region left
group           right region right
group           free subtract all left

# =========================================================================
# BPM bond style
# =========================================================================

variable        Kr equal v_E*v_A/v_l0
variable        Ks equal 12*v_E*v_I/v_l0^3
variable        Kt equal v_G*v_J/v_l0
variable        Kb equal v_E*v_I/v_l0

bond_style      bpm/rotational smooth no break no
bond_coeff      1 ${Kr} ${Ks} ${Kt} ${Kb} &
                -1 -1 -1 -1 &
                0.01 0.01 0.01 0.01

pair_style      zero $(2*v_l0)
pair_coeff      * * $(2*v_l0)

# =========================================================================
# Computes and output
# =========================================================================

timestep        5e-4

compute         delx right reduce ave x
compute         dely right reduce ave y

variable        dx equal "c_delx/v_L-1"
variable        dy equal "c_dely/v_L"

variable        l equal 0
variable        dB equal 0
variable        dBone equal v_E*v_I/(v_M*v_A*v_L^3)*0.36

thermo          10000
thermo_style    custom step temp ke pe etotal v_l v_dx v_dy
thermo_modify   lost ignore flush yes norm no

dump            1 all custom 100000 ./config-B2.dump id type x y fx fy mux muy

fix             prnt all print 100000 &
                "${l} ${dx} ${dy}" &
                file config-B2.txt screen no

# =========================================================================
# Loop 1: small field increments (lambda_m^C = 1 to 4)
# =========================================================================

variable        i loop 4

label           LOOP1

variable        dB equal "v_dBone*v_i"
variable        l equal "v_i"

fix             1 free nve/bpm/sphere update dipole
fix             2 free langevin 0 0 1000 83715463 zero yes omega yes
fix             3 all efield/lepton "-v_dB*(-x^2+2*y^2)/4 -0.001*y" step 1
fix             4 all enforce2d
fix_modify      3 energy yes

run             1000000

next            i
jump            SELF LOOP1

# =========================================================================
# Loop 2: transition increments (lambda_m^C = 5.0 to 5.5)
# =========================================================================

variable        i index 5.0 5.1 5.2 5.3 5.4 5.5

label           LOOP2

variable        dB equal "v_dBone*v_i"
variable        l equal "v_i"

bond_coeff      1 ${Kr} ${Ks} ${Kt} ${Kb} &
                -1 -1 -1 -1 &
                0.01 0.01 0.01 0.01

fix             1 free nve/bpm/sphere update dipole
fix             2 free langevin 0 0 10000 83715463 zero yes omega yes
fix             3 all efield/lepton "-v_dB*(-x^2+2*y^2)/4 -0.001*y" step 1
fix             4 all enforce2d
fix_modify      3 energy yes

run             500000

velocity        all zero linear
velocity        all zero angular

bond_coeff      1 ${Kr} ${Ks} ${Kt} ${Kb} &
                -1 -1 -1 -1 &
                0.05 0.05 0.05 0.05

fix             2 free langevin 0 0 1000 83715463 zero yes omega yes

run             1500000

next            i
jump            SELF LOOP2

# =========================================================================
# Loop 3: large field increments (lambda_m^C = 6 to 45)
# =========================================================================

variable        i index 6 6.5 7 7.5 8 8.5 9 9.5 10 12.5 15 20 25 30 35 40 45

label           LOOP3

variable        dB equal "v_dBone*v_i"
variable        l equal "v_i"

bond_coeff      1 ${Kr} ${Ks} ${Kt} ${Kb} &
                -1 -1 -1 -1 &
                0.05 0.05 0.05 0.05

fix             1 free nve/bpm/sphere update dipole
fix             2 free langevin 0 0 100 83715463 zero yes omega yes
fix             3 all efield/lepton "-v_dB*(-x^2+2*y^2)/4 -0.001*y" step 1
fix             4 all enforce2d
fix_modify      3 energy yes

run             1000000

next            i
jump            SELF LOOP3