17 lines
410 B
Bash
Executable File
17 lines
410 B
Bash
Executable File
#!/bin/bash
|
|
|
|
# clean old res
|
|
rm res_*.dat
|
|
|
|
# compute Lammps
|
|
./../../../../src/lmp_serial \
|
|
-in in.spin.iron-nve
|
|
in="$(grep -n Step log.lammps | awk -F ':' '{print $1}')"
|
|
en="$(grep -n Loop log.lammps | awk -F ':' '{print $1}')"
|
|
in="$(echo "$in+1" | bc -l)"
|
|
en="$(echo "$en-$in" | bc -l)"
|
|
tail -n +$in log.lammps | head -n $en > res_lammps.dat
|
|
|
|
# plot results
|
|
python3 plot_nve.py res_lammps.dat res_llg.dat
|