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0.0.34

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guanjihuan
2021-12-21 13:33:19 +08:00
parent 8a3234ba03
commit 54ea831b24
3 changed files with 11 additions and 5 deletions
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2
PyPI/setup.cfg
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@@ -1,7 +1,7 @@
[metadata]
# replace with your username:
name = guan
version = 0.0.33
version = 0.0.34
author = guanjihuan
author_email = guanjihuan@163.com
description = An open source python package

10
PyPI/src/guan/calculate_band_structures_and_wave_functions.py
View File

@@ -14,7 +14,7 @@ def calculate_eigenvalue(hamiltonian):
eigenvalue, eigenvector = np.linalg.eigh(hamiltonian)
return eigenvalue
def calculate_eigenvalue_with_one_parameter(x_array, hamiltonian_function):
def calculate_eigenvalue_with_one_parameter(x_array, hamiltonian_function, print_show=0):
dim_x = np.array(x_array).shape[0]
i0 = 0
if np.array(hamiltonian_function(0)).shape==():
@@ -27,13 +27,15 @@ def calculate_eigenvalue_with_one_parameter(x_array, hamiltonian_function):
dim = np.array(hamiltonian_function(0)).shape[0]
eigenvalue_array = np.zeros((dim_x, dim))
for x0 in x_array:
if print_show==1:
print(x0)
hamiltonian = hamiltonian_function(x0)
eigenvalue, eigenvector = np.linalg.eigh(hamiltonian)
eigenvalue_array[i0, :] = eigenvalue
i0 += 1
return eigenvalue_array
def calculate_eigenvalue_with_two_parameters(x_array, y_array, hamiltonian_function):
def calculate_eigenvalue_with_two_parameters(x_array, y_array, hamiltonian_function, print_show=0, print_show_more=0):
dim_x = np.array(x_array).shape[0]
dim_y = np.array(y_array).shape[0]
if np.array(hamiltonian_function(0,0)).shape==():
@@ -52,7 +54,11 @@ def calculate_eigenvalue_with_two_parameters(x_array, y_array, hamiltonian_funct
i0 = 0
for y0 in y_array:
j0 = 0
if print_show==1:
print(y0)
for x0 in x_array:
if print_show_more==1:
print(x0)
hamiltonian = hamiltonian_function(x0, y0)
eigenvalue, eigenvector = np.linalg.eigh(hamiltonian)
eigenvalue_array[i0, j0, :] = eigenvalue