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Improved scripts validaton problems

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julient31
2020-10-05 17:13:54 -06:00
parent 121dc82f1b
commit 2825abb028
3 changed files with 4 additions and 4 deletions
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4
examples/SPIN/test_problems/validation_damped_exchange/run-test-exchange.sh
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@ -13,7 +13,7 @@ en="$(echo "$en-$in" | bc -l)"
tail -n +$in log.lammps | head -n $en > res_lammps.dat tail -n +$in log.lammps | head -n $en > res_lammps.dat
# compute Langevin # compute Langevin
python3 -m llg_exchange.py > res_llg.dat python3 llg_exchange.py > res_llg.dat
# plot results # plot results
python3 -m plot_precession.py res_lammps.dat res_llg.dat python3 plot_precession.py res_lammps.dat res_llg.dat

2
examples/SPIN/test_problems/validation_nve/run-test-nve.sh
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@ -13,4 +13,4 @@ en="$(echo "$en-$in" | bc -l)"
tail -n +$in log.lammps | head -n $en > res_lammps.dat tail -n +$in log.lammps | head -n $en > res_lammps.dat
# plot results # plot results
python3 -m plot_nve.py res_lammps.dat res_llg.dat python3 plot_nve.py res_lammps.dat res_llg.dat

2
examples/SPIN/test_problems/validation_nvt/plot_nvt.py
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@ -39,5 +39,5 @@ plt.xlabel('Time (in ps)')
plt.legend() plt.legend()
plt.show() plt.show()
fig.savefig(os.path.join(os.getcwd(), "nve_spin_lattice.pdf"), bbox_inches="tight") fig.savefig(os.path.join(os.getcwd(), "nvt_spin_lattice.pdf"), bbox_inches="tight")
plt.close(fig) plt.close(fig)