Help regarding dump file in lammps

22 February 2016 1 9K Report

i have been trying the below attached file in lammps for cascade simulation. In dump file, i am getting data just for information after timestep= 10000 (just final after run) but it is not giving information about starting structure (timestep =0). Please help if there is problem with input file

Alberto Fraile

Hi Qurat

I would change it like this... before the PKA run

#Outputs and Run

thermo 10

thermo_style custom step dt temp press pe ke etotal lx ly lz

timestep 0.0001

compute ke_a all ke/atom

compute pe_a all pe/atom

variable e_tot atom c_ke_a+c_pe_a

dump mydump all custom 100 300k.dat id type x y z vx vy vz c_ke_a c_pe_a v_e_tot

run 1000

so you dump the positions etc from timestep = 0

hope it helps

best regards

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