From 2825abb0284a164b368d1dda18a62140c807b000 Mon Sep 17 00:00:00 2001 From: julient31 Date: Mon, 5 Oct 2020 17:13:54 -0600 Subject: [PATCH] Improved scripts validaton problems --- .../validation_damped_exchange/run-test-exchange.sh | 4 ++-- examples/SPIN/test_problems/validation_nve/run-test-nve.sh | 2 +- examples/SPIN/test_problems/validation_nvt/plot_nvt.py | 2 +- 3 files changed, 4 insertions(+), 4 deletions(-) diff --git a/examples/SPIN/test_problems/validation_damped_exchange/run-test-exchange.sh b/examples/SPIN/test_problems/validation_damped_exchange/run-test-exchange.sh index 599730fe7b..bd878a52de 100755 --- a/examples/SPIN/test_problems/validation_damped_exchange/run-test-exchange.sh +++ b/examples/SPIN/test_problems/validation_damped_exchange/run-test-exchange.sh @@ -13,7 +13,7 @@ en="$(echo "$en-$in" | bc -l)" tail -n +$in log.lammps | head -n $en > res_lammps.dat # compute Langevin -python3 -m llg_exchange.py > res_llg.dat +python3 llg_exchange.py > res_llg.dat # plot results -python3 -m plot_precession.py res_lammps.dat res_llg.dat +python3 plot_precession.py res_lammps.dat res_llg.dat diff --git a/examples/SPIN/test_problems/validation_nve/run-test-nve.sh b/examples/SPIN/test_problems/validation_nve/run-test-nve.sh index 441e7cf46d..18cedd9503 100755 --- a/examples/SPIN/test_problems/validation_nve/run-test-nve.sh +++ b/examples/SPIN/test_problems/validation_nve/run-test-nve.sh @@ -13,4 +13,4 @@ en="$(echo "$en-$in" | bc -l)" tail -n +$in log.lammps | head -n $en > res_lammps.dat # plot results -python3 -m plot_nve.py res_lammps.dat res_llg.dat +python3 plot_nve.py res_lammps.dat res_llg.dat diff --git a/examples/SPIN/test_problems/validation_nvt/plot_nvt.py b/examples/SPIN/test_problems/validation_nvt/plot_nvt.py index 06c48b4c28..4109d60245 100755 --- a/examples/SPIN/test_problems/validation_nvt/plot_nvt.py +++ b/examples/SPIN/test_problems/validation_nvt/plot_nvt.py @@ -39,5 +39,5 @@ plt.xlabel('Time (in ps)') plt.legend() 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)