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0.1.80

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guanjihuan
2024-01-26 00:09:17 +08:00
parent 23a5c80a2b
commit 9de98e961b
4 changed files with 75 additions and 14 deletions
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36
PyPI/src/guan/band_structures_and_wave_functions.py
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@@ -116,9 +116,35 @@ def find_vector_with_the_same_gauge_with_binary_search(vector_target, vector_ref
print('Phase=', phase)
return vector_target
# 通过使得波函数的一个非零分量为实数，得到固定规范的波函数
# 通过乘一个相反的相位角，实现波函数的一个非零分量为实数，从而得到固定规范的波函数
@guan.statistics_decorator
def find_vector_with_fixed_gauge_by_making_one_component_real(vector, precision=0.005, index=None):
def find_vector_with_fixed_gauge_by_making_one_component_real(vector, index=None):
import numpy as np
import cmath
vector = np.array(vector)
if index == None:
index = np.argmax(np.abs(vector))
angle = cmath.phase(vector[index])
vector = vector*cmath.exp(-1j*angle)
return vector
# 通过乘一个相反的相位角，实现波函数的一个非零分量为实数，从而得到固定规范的波函数（在一组波函数中选取最大的那个分量）
@guan.statistics_decorator
def find_vector_array_with_fixed_gauge_by_making_one_component_real(vector_array):
import numpy as np
import guan
vector_sum = 0
Num_k = np.array(vector_array).shape[0]
for i0 in range(Num_k):
vector_sum += np.abs(vector_array[i0])
index = np.argmax(np.abs(vector_sum))
for i0 in range(Num_k):
vector_array[i0] = guan.find_vector_with_fixed_gauge_by_making_one_component_real(vector_array[i0], index=index)
return vector_array
# 循环查找规范使得波函数的一个非零分量为实数，得到固定规范的波函数
@guan.statistics_decorator
def loop_find_vector_with_fixed_gauge_by_making_one_component_real(vector, precision=0.005, index=None):
import numpy as np
import cmath
vector = np.array(vector)
@@ -135,9 +161,9 @@ def find_vector_with_fixed_gauge_by_making_one_component_real(vector, precision=
vector = -vector
return vector
# 通过使得波函数的一个非零分量为实数，得到固定规范的波函数（在一组波函数中选取最大的那个分量）
# 循环查找规范使得波函数的一个非零分量为实数，得到固定规范的波函数（在一组波函数中选取最大的那个分量）
@guan.statistics_decorator
def find_vector_array_with_fixed_gauge_by_making_one_component_real(vector_array, precision=0.005):
def loop_find_vector_array_with_fixed_gauge_by_making_one_component_real(vector_array, precision=0.005):
import numpy as np
import guan
vector_sum = 0
@@ -146,7 +172,7 @@ def find_vector_array_with_fixed_gauge_by_making_one_component_real(vector_array
vector_sum += np.abs(vector_array[i0])
index = np.argmax(np.abs(vector_sum))
for i0 in range(Num_k):
vector_array[i0] = guan.find_vector_with_fixed_gauge_by_making_one_component_real(vector_array[i0], precision=precision, index=index)
vector_array[i0] = guan.loop_find_vector_with_fixed_gauge_by_making_one_component_real(vector_array[i0], precision=precision, index=index)
return vector_array
# 旋转两个简并的波函数（说明：参数比较多，算法效率不高）