guanjihuan/py.guanjihuan.com
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version 0.0.16

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guanjihuan 2021-08-03 21:46:21 +08:00
parent 4af09ef61b
commit 960e363190
3 changed files with 5 additions and 4 deletions
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2
API_reference.py
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@ -66,7 +66,7 @@ eigenvector = guan.calculate_eigenvector(hamiltonian)
# find vector with the same gauge # Source code: https://py.guanjihuan.com/find_vector_with_the_same_gauge
vector_target = guan.find_vector_with_the_same_gauge_with_binary_search(vector_target, vector_ref, show_error=1, show_times=0, show_phase=0, n_test=10001, precision=1e-6)
vector = guan.find_vector_with_fixed_gauge_by_making_one_component_real(vector, precision=0.005)
vector = guan.find_vector_with_fixed_gauge_by_making_one_component_real(vector, precision=0.005, index=None)
# calculate Green functions # Source code: https://py.guanjihuan.com/calculate_green_functions
green = guan.green_function(fermi_energy, hamiltonian, broadening, self_energy=0)

2
PyPI/setup.cfg
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@ -1,7 +1,7 @@
[metadata]
# replace with your username:
name = guan
version = 0.0.15
version = 0.0.16
author = guanjihuan
author_email = guanjihuan@163.com
description = An open source python package

5
PyPI/src/guan/find_vector_with_the_same_gauge.py
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@ -42,8 +42,9 @@ def find_vector_with_the_same_gauge_with_binary_search(vector_target, vector_ref
print('Phase=', phase)
return vector_target
def find_vector_with_fixed_gauge_by_making_one_component_real(vector, precision=0.005):
index = np.argmax(np.abs(vector))
def find_vector_with_fixed_gauge_by_making_one_component_real(vector, precision=0.005, index=None):
if index == None:
index = np.argmax(np.abs(vector))
sign_pre = np.sign(np.imag(vector[index]))
for phase in np.arange(0, 2*pi, precision):
sign = np.sign(np.imag(vector[index]*cmath.exp(1j*phase)))