From 87ef3a433ae519eb2f66b8bb41cf357214962523 Mon Sep 17 00:00:00 2001
From: guanjihuan <guanjihuan@163.com>
Date: Wed, 20 Jul 2022 16:21:40 +0800
Subject: [PATCH] 0.0.113

---
 API_Reference.py          |  2 ++
 PyPI/setup.cfg            |  2 +-
 PyPI/src/guan/__init__.py | 21 ++++++++++++++++++++-
 3 files changed, 23 insertions(+), 2 deletions(-)

diff --git a/API_Reference.py b/API_Reference.py
index 4076826..6037d37 100644
--- a/API_Reference.py
+++ b/API_Reference.py
@@ -209,6 +209,8 @@ conductance = guan.calculate_conductance(fermi_energy, h00, h01, length=100)
 
 conductance_array = guan.calculate_conductance_with_fermi_energy_array(fermi_energy_array, h00, h01, length=100, print_show=0)
 
+conductance = guan.calculate_conductance_with_barrier(fermi_energy, h00, h01, length=100, barrier_length=20, barrier_potential=1)
+
 conductance = guan.calculate_conductance_with_disorder(fermi_energy, h00, h01, disorder_intensity=2.0, disorder_concentration=1.0, length=100)
 
 conductance_array = guan.calculate_conductance_with_disorder_intensity_array(fermi_energy, h00, h01, disorder_intensity_array, disorder_concentration=1.0, length=100, calculation_times=1, print_show=0)
diff --git a/PyPI/setup.cfg b/PyPI/setup.cfg
index 0e6edd8..b0b4028 100644
--- a/PyPI/setup.cfg
+++ b/PyPI/setup.cfg
@@ -1,7 +1,7 @@
 [metadata]
 # replace with your username:
 name = guan
-version = 0.0.112
+version = 0.0.113
 author = guanjihuan
 author_email = guanjihuan@163.com
 description = An open source python package
diff --git a/PyPI/src/guan/__init__.py b/PyPI/src/guan/__init__.py
index 41cf1fa..91b58dd 100644
--- a/PyPI/src/guan/__init__.py
+++ b/PyPI/src/guan/__init__.py
@@ -2,7 +2,7 @@
 
 # With this package, you can calculate band structures, density of states, quantum transport and topological invariant of tight-binding models by invoking the functions you need. Other frequently used functions are also integrated in this package, such as file reading/writing, figure plotting, data processing.
 
-# The current version is guan-0.0.112, updated on July 20, 2022.
+# The current version is guan-0.0.113, updated on July 20, 2022.
 
 # Installation: pip install --upgrade guan
 
@@ -1137,6 +1137,25 @@ def calculate_conductance_with_fermi_energy_array(fermi_energy_array, h00, h01,
         i0 += 1
     return conductance_array
 
+def calculate_conductance_with_barrier(fermi_energy, h00, h01, length=100, barrier_length=20, barrier_potential=1):
+    right_self_energy, left_self_energy, gamma_right, gamma_left = guan.self_energy_of_lead(fermi_energy, h00, h01)
+    dim = np.array(h00).shape[0]
+    for ix in range(length):
+        if ix == 0:
+            green_nn_n = guan.green_function(fermi_energy, h00, broadening=0, self_energy=left_self_energy)
+            green_0n_n = copy.deepcopy(green_nn_n)
+        elif int(length/2-barrier_length/2)<=ix<int(length/2+barrier_length/2):
+            green_nn_n = guan.green_function_nn_n(fermi_energy, h00+barrier_potential*np.identity(dim), h01, green_nn_n, broadening=0) 
+            green_0n_n = guan.green_function_in_n(green_0n_n, h01, green_nn_n)
+        elif ix != length-1:
+            green_nn_n = guan.green_function_nn_n(fermi_energy, h00, h01, green_nn_n, broadening=0)
+            green_0n_n = guan.green_function_in_n(green_0n_n, h01, green_nn_n)
+        else:
+            green_nn_n = guan.green_function_nn_n(fermi_energy, h00, h01, green_nn_n, broadening=0, self_energy=right_self_energy)
+            green_0n_n = guan.green_function_in_n(green_0n_n, h01, green_nn_n)
+    conductance = np.trace(np.dot(np.dot(np.dot(gamma_left, green_0n_n), gamma_right), green_0n_n.transpose().conj()))
+    return conductance
+
 def calculate_conductance_with_disorder(fermi_energy, h00, h01, disorder_intensity=2.0, disorder_concentration=1.0, length=100):
     right_self_energy, left_self_energy, gamma_right, gamma_left = guan.self_energy_of_lead(fermi_energy, h00, h01)
     dim = np.array(h00).shape[0]