diff --git a/API_reference.py b/API_reference.py index 000844e..2349b25 100644 --- a/API_reference.py +++ b/API_reference.py @@ -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) diff --git a/PyPI/setup.cfg b/PyPI/setup.cfg index 025356a..7d90350 100644 --- a/PyPI/setup.cfg +++ b/PyPI/setup.cfg @@ -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 diff --git a/PyPI/src/guan/find_vector_with_the_same_gauge.py b/PyPI/src/guan/find_vector_with_the_same_gauge.py index ed81530..7513211 100644 --- a/PyPI/src/guan/find_vector_with_the_same_gauge.py +++ b/PyPI/src/guan/find_vector_with_the_same_gauge.py @@ -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)))