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echo both
units real
atom_style atomic
variable L equal 12
variable l2 equal 6
variable l equal 4
variable w equal 2
lattice fcc 5.405 origin 0.25 0.25 0.25
region mdInternal block -$l $l -$l $l -$w $w
boundary f f f # p
pair_style lj/cut 13.5
read_data temp.init
fix ZWALLS all wall/reflect zlo EDGE zhi EDGE
mass 1 39.95
pair_coeff 1 1 .238 3.405 13.5
group internal region mdInternal
fix AtC internal atc two_temperature Ar_ttm.mat
fix_modify AtC mesh read gaussianIC2d_tet.mesh
#fix_modify AtC mesh read gaussianIC2d_tet.exo
fix_modify AtC mesh write parsed_gaussianIC2d_tet.mesh
fix_modify AtC mesh output parsed_gaussianIC2d_tetMESH
fix_modify AtC output gaussianIC2d_tetFE 10 full_text
fix_modify AtC initial temperature all 20.0
# NOTE this is only gaussian in x
fix_modify AtC initial electron_temperature all gaussian 0 0 0 1 0 0 5 20 20
fix_modify AtC fix temperature 11 20.0
fix_modify AtC fix temperature 12 20.0
fix_modify AtC control thermal flux
fix_modify AtC extrinsic exchange on
fix_modify AtC extrinsic electron_integration explicit 10
thermo_style custom step temp pe f_AtC[2] f_AtC[4]
timestep 1.0
thermo 10
run 100
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