51e3f9dcda
- modified all spin pairs (match nve) - correct doc min_modify - correct code max norm (square values) - added draft nvt validation
20 lines
484 B
Bash
Executable File
20 lines
484 B
Bash
Executable File
#!/bin/bash
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# clean old res
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rm res_*.dat
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# compute Lammps
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./../../../../src/lmp_serial \
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-in test-spin-precession.in
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in="$(grep -n Step log.lammps | awk -F ':' '{print $1}')"
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en="$(grep -n Loop log.lammps | awk -F ':' '{print $1}')"
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in="$(echo "$in+1" | bc -l)"
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en="$(echo "$en-$in" | bc -l)"
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tail -n +$in log.lammps | head -n $en > res_lammps.dat
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# compute Langevin
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python3 llg_precession.py > res_llg.dat
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# plot results
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python3 plot_precession.py res_lammps.dat res_llg.dat
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