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guan-0.0.30

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guanjihuan 2021-11-16 03:46:59 +08:00
parent c5906e7e6d
commit c7cb798536
2 changed files with 5 additions and 5 deletions
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2
PyPI/setup.cfg
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@ -1,7 +1,7 @@
[metadata] [metadata]
# replace with your username: # replace with your username:
name = guan name = guan
version = 0.0.29 version = 0.0.30
author = guanjihuan author = guanjihuan
author_email = guanjihuan@163.com author_email = guanjihuan@163.com
description = An open source python package description = An open source python package

8
PyPI/src/guan/calculate_band_structures_and_wave_functions.py
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@ -28,8 +28,8 @@ def calculate_eigenvalue_with_one_parameter(x_array, hamiltonian_function):
eigenvalue_array = np.zeros((dim_x, dim)) eigenvalue_array = np.zeros((dim_x, dim))
for x0 in x_array: for x0 in x_array:
hamiltonian = hamiltonian_function(x0) hamiltonian = hamiltonian_function(x0)
eigenvalue, eigenvector = np.linalg.eig(hamiltonian) eigenvalue, eigenvector = np.linalg.eigh(hamiltonian)
eigenvalue_array[i0, :] = np.sort(np.real(eigenvalue[:])) eigenvalue_array[i0, :] = eigenvalue
i0 += 1 i0 += 1
return eigenvalue_array return eigenvalue_array
@ -54,8 +54,8 @@ def calculate_eigenvalue_with_two_parameters(x_array, y_array, hamiltonian_funct
j0 = 0 j0 = 0
for x0 in x_array: for x0 in x_array:
hamiltonian = hamiltonian_function(x0, y0) hamiltonian = hamiltonian_function(x0, y0)
eigenvalue, eigenvector = np.linalg.eig(hamiltonian) eigenvalue, eigenvector = np.linalg.eigh(hamiltonian)
eigenvalue_array[i0, j0, :] = np.sort(np.real(eigenvalue[:])) eigenvalue_array[i0, j0, :] = eigenvalue
j0 += 1 j0 += 1
i0 += 1 i0 += 1
return eigenvalue_array return eigenvalue_array