8bca0b13f1
- correcting issue in src/SPIN/atom_vec_spin.cpp (inconsistency packing/unpacking hybrid) - rerunning all examples with corrections of former commit
28 lines
664 B
Bash
Executable File
28 lines
664 B
Bash
Executable File
#!/bin/bash
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tempi=0.0
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tempf=20.0
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rm res_*.dat
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# compute Lammps
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N=20
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for (( i=0; i<$N; i++ ))
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do
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temp="$(echo "$tempi+$i*($tempf-$tempi)/$N" | bc -l)"
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sed s/temperature/${temp}/g bench-prec-spin.template > \
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bench-prec-spin.in
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./../../../../src/lmp_serial \
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-in bench-prec-spin.in
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Hz="$(tail -n 1 average_spin | awk -F " " '{print $3}')"
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sz="$(tail -n 1 average_spin | awk -F " " '{print $5}')"
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en="$(tail -n 1 average_spin | awk -F " " '{print $6}')"
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echo $temp $Hz $sz $en >> res_lammps.dat
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done
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# compute Langevin
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python3 -m langevin.py > res_langevin.dat
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# plot results
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python3 -m plot_precession.py res_lammps.dat res_langevin.dat
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