From c7cb798536c8e05b7a9f8f62d11d05c478a49020 Mon Sep 17 00:00:00 2001 From: guanjihuan Date: Tue, 16 Nov 2021 03:46:59 +0800 Subject: [PATCH] guan-0.0.30 --- PyPI/setup.cfg | 2 +- .../guan/calculate_band_structures_and_wave_functions.py | 8 ++++---- 2 files changed, 5 insertions(+), 5 deletions(-) diff --git a/PyPI/setup.cfg b/PyPI/setup.cfg index 0fb0c6e..d29abfb 100644 --- a/PyPI/setup.cfg +++ b/PyPI/setup.cfg @@ -1,7 +1,7 @@ [metadata] # replace with your username: name = guan -version = 0.0.29 +version = 0.0.30 author = guanjihuan author_email = guanjihuan@163.com description = An open source python package diff --git a/PyPI/src/guan/calculate_band_structures_and_wave_functions.py b/PyPI/src/guan/calculate_band_structures_and_wave_functions.py index 268d9ca..2fba98c 100644 --- a/PyPI/src/guan/calculate_band_structures_and_wave_functions.py +++ b/PyPI/src/guan/calculate_band_structures_and_wave_functions.py @@ -28,8 +28,8 @@ def calculate_eigenvalue_with_one_parameter(x_array, hamiltonian_function): eigenvalue_array = np.zeros((dim_x, dim)) for x0 in x_array: hamiltonian = hamiltonian_function(x0) - eigenvalue, eigenvector = np.linalg.eig(hamiltonian) - eigenvalue_array[i0, :] = np.sort(np.real(eigenvalue[:])) + eigenvalue, eigenvector = np.linalg.eigh(hamiltonian) + eigenvalue_array[i0, :] = eigenvalue i0 += 1 return eigenvalue_array @@ -54,8 +54,8 @@ def calculate_eigenvalue_with_two_parameters(x_array, y_array, hamiltonian_funct j0 = 0 for x0 in x_array: hamiltonian = hamiltonian_function(x0, y0) - eigenvalue, eigenvector = np.linalg.eig(hamiltonian) - eigenvalue_array[i0, j0, :] = np.sort(np.real(eigenvalue[:])) + eigenvalue, eigenvector = np.linalg.eigh(hamiltonian) + eigenvalue_array[i0, j0, :] = eigenvalue j0 += 1 i0 += 1 return eigenvalue_array