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variable ibead uloop 32 pad
variable out_freq string 1
variable job_name string H2
units real
atom_style full
pair_style table linear 10000
neighbor 2.0 bin
neigh_modify every 1 delay 0 check no
read_data H2.data
pair_coeff 1 * pair.table PAIR_H2
timestep 0.001
thermo_style custom step temp pe etotal pzz
thermo ${out_freq}
velocity all create 1.0 1985 rot yes dist gaussian
fix 1 all pimd method nmpimd fmass 1.0 temp 25.0 nhc 4
dump dcd all dcd ${out_freq} dcd/${job_name}_${ibead}.dcd
restart ${out_freq} restart/${job_name}_${ibead}.restart1 restart/${job_name}_${ibead}.restart2
run 100000
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