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input.txt
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8 lines (8 loc) · 851 Bytes
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height 3.5 #height of your system. This value can be seen from lammps dump file
width 102.636 # width of your system. This value can be seen from lammps dump file
energy 0.431 # energy input into the system in ev/ps. Should be equal to eheat/rheat of in.heatflux file
frequency 1000 # how frequently heat is supplied/extracted from system. Should be equal to value of fix hot/cold of in.heatflux file
dtstep 0.002 # time step used in your md simulation in ps
temperature 300 # Temperature at which the simulation is carried out
nbin_skip 3 # Number of bins to skip from hot and cold region. Adjust this to do the linear fit correctly
plt_op png # This could be 'png' or 'display' depending on how you want the plots to be displayed. 'display' displays on the terminal. 'png' saves as a png image. display requires xterm.