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lammps/examples/PACKAGES/electrode/check_intel/check.py
Ludwig Ahrens-Iwers 65be564cd6 Review akohlmey
2022-04-05 15:35:04 +00:00

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Python
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#!/bin/python3
import numpy as np
nointel = np.loadtxt("ref_nointel.csv", skiprows=1)
intel = np.loadtxt("ref_intel.csv", skiprows=1)
for matrix in [nointel, intel]:
assert matrix.shape == (6, 3), matrix.shape
diff0 = np.sum(np.abs(nointel - intel))
assert diff0 < 5e-4, diff0