51e3f9dcda
- modified all spin pairs (match nve) - correct doc min_modify - correct code max norm (square values) - added draft nvt validation
27 lines
649 B
Bash
Executable File
27 lines
649 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 test-prec-spin.template > \
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test-prec-spin.in
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./../../../../src/lmp_serial -in test-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 langevin.py > res_langevin.dat
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# plot results
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python3 plot_precession.py res_lammps.dat res_langevin.dat
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