version-0.0.7

API_reference.md

@@ -64,6 +64,9 @@ eigenvalue_array = guan.calculate_eigenvalue_with_two_parameters(x, y, hamiltoni
 # calculate wave functions
 eigenvector = guan.calculate_eigenvector(hamiltonian)
 
+# find vector with the same gauge
+vector_target = 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)
+
 # calculate Green functions
 green = guan.green_function(fermi_energy, hamiltonian, broadening, self_energy=0)
 green_nn_n = guan.green_function_nn_n(fermi_energy, h00, h01, green_nn_n_minus, broadening, self_energy=0)

PyPI/setup.cfg

@@ -1,7 +1,7 @@
 [metadata]
 # replace with your username:
 name = guan
-version = 0.0.6
+version = 0.0.7
 author = guanjihuan
 author_email = guanjihuan@163.com
 description = An open source python package

PyPI/src/guan/__init__.py

@@ -8,6 +8,7 @@ from .Hamiltonian_of_finite_size import *
 from .Hamiltonian_of_models_in_the_reciprocal_space import *
 from .calculate_band_structures import *
 from .calculate_wave_functions import *
+from .find_vector_with_the_same_gauge import *
 from .calculate_Green_functions import *
 from .calculate_density_of_states import *
 from .calculate_conductance import *

PyPI/src/guan/find_vector_with_the_same_gauge.py

@@ -0,0 +1,41 @@
+# find vector with the same gauge
+
+import numpy as np
+import cmath
+from math import *
+
+def 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):
+    phase_1_pre = 0
+    phase_2_pre = pi
+    for i0 in range(n_test):
+        test_1 = np.sum(np.abs(vector_target*cmath.exp(1j*phase_1_pre) - vector_ref))
+        test_2 = np.sum(np.abs(vector_target*cmath.exp(1j*phase_2_pre) - vector_ref))
+        if test_1 < precision:
+            phase = phase_1_pre
+            if show_times==1:
+                print('Binary search times=', i0)
+            break
+        if i0 == n_test-1:
+            phase = phase_1_pre
+            if show_error==1:
+                print('Gauge not found with binary search times=', i0)
+        if test_1 < test_2:
+            if i0 == 0:
+                phase_1 = phase_1_pre-(phase_2_pre-phase_1_pre)/2
+                phase_2 = phase_1_pre+(phase_2_pre-phase_1_pre)/2
+            else:
+                phase_1 = phase_1_pre
+                phase_2 = phase_1_pre+(phase_2_pre-phase_1_pre)/2
+        else:
+            if i0 == 0:
+                phase_1 = phase_2_pre-(phase_2_pre-phase_1_pre)/2
+                phase_2 = phase_2_pre+(phase_2_pre-phase_1_pre)/2
+            else:
+                phase_1 = phase_2_pre-(phase_2_pre-phase_1_pre)/2
+                phase_2 = phase_2_pre 
+        phase_1_pre = phase_1
+        phase_2_pre = phase_2
+    vector_target = vector_target*cmath.exp(1j*phase)
+    if show_phase==1:
+        print('Phase=', phase)   
+    return vector_target

tutorial.py

@@ -1,4 +1,4 @@
-# tutorial (NOT for all functions)
+# tutorial (not for all functions)
 
 import guan
 import functools