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Fixed run_sim=False in test_morse.py #259

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Merged
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Feb 3, 2025
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Fixed run_sim=False in test_morse.py #259

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4 changes: 2 additions & 2 deletions examples/test_morse.py
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Original file line number Diff line number Diff line change
Expand Up @@ -180,8 +180,8 @@ def run_krc_morse_potential(energy, index, num_samples=10000, run_sim=True):
R_E_2 = np.zeros(num_energies)

for index, energy in enumerate(energies):
R_N[index], R_E[index] = run_krc_morse_potential(energy, index, num_samples=num_samples, run_sim=False)
R_N_2[index], R_E_2[index] = run_morse_potential(energy, index, num_samples=num_samples, run_sim=False)
R_N[index], R_E[index] = run_krc_morse_potential(energy, index, num_samples=num_samples, run_sim=True)
R_N_2[index], R_E_2[index] = run_morse_potential(energy, index, num_samples=num_samples, run_sim=True)

plt.semilogx(energies, R_N, label='R_N Morse-Kr-C H-Ni, Es=1.5eV', color='purple')
plt.semilogx(energies, R_N_2, label='R_N Morse H-Ni, Es=1.5eV', color='green')
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