0.1.181
This commit is contained in:
parent
8f0bae617d
commit
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@ -1,7 +1,7 @@
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[metadata]
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# replace with your username:
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name = guan
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version = 0.1.179
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version = 0.1.181
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author = guanjihuan
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author_email = guanjihuan@163.com
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description = An open source python package
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@ -1,6 +1,6 @@
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Metadata-Version: 2.4
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Name: guan
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Version: 0.1.179
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Version: 0.1.181
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Summary: An open source python package
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Home-page: https://py.guanjihuan.com
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Author: guanjihuan
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@ -8,14 +8,11 @@ src/guan/Hamiltonian_of_examples.py
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src/guan/__init__.py
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src/guan/band_structures_and_wave_functions.py
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src/guan/basic_functions.py
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src/guan/custom_classes.py
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src/guan/data_processing.py
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src/guan/decorators.py
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src/guan/density_of_states.py
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src/guan/deprecated.py
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src/guan/figure_plotting.py
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src/guan/file_reading_and_writing.py
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src/guan/functions_using_objects_of_custom_classes.py
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src/guan/machine_learning.py
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src/guan/others.py
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src/guan/quantum_transport.py
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@ -14,7 +14,4 @@ from .figure_plotting import *
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from .data_processing import *
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from .decorators import *
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from .others import *
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from .custom_classes import *
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from .functions_using_objects_of_custom_classes import *
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from .deprecated import *
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statistics_of_guan_package()
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@ -1,11 +0,0 @@
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# Module: custom_classes
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# 原子类
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class Atom:
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def __init__(self, name='atom', index=0, x=0, y=0, z=0, energy=0):
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self.name = name
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self.index = index
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self.x = x
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self.y = y
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self.z = z
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self.energy = energy
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@ -11,7 +11,7 @@ def logging_with_day_and_time(content='', filename='time_logging', file_format='
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else:
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f2.write(datetime_today+' '+datetime_time+' '+content+'\n')
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# 使用该函数获取函数计算时间（秒）
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# 使用该函数运行某个函数并获取函数计算时间（秒）
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def timer(function_name, *args, **kwargs):
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import time
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start = time.time()
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@ -20,13 +20,54 @@ def timer(function_name, *args, **kwargs):
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print(f"Running time of {function_name.__name__}: {end - start} seconds")
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return result
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# 使用该函数实现 try except 结构
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# 使用该函数运行某个函数并实现 try-except-pass 结构
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def try_except(function_name, *args, **kwargs):
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try:
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return function_name(*args, **kwargs)
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except:
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pass
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# 循环一个参数计算某个函数，并返回计算结果的数组
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def loop_calculation_with_one_parameter(function_name, parameter_array):
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import numpy as np
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result_array = []
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for parameter in parameter_array:
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result = function_name(parameter)
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result_array.append(result)
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result_array = np.array(result_array)
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return result_array
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# 循环两个参数计算某个函数，并返回计算结果的数组
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def loop_calculation_with_two_parameters(function_name, parameter_array_1, parameter_array_2):
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import numpy as np
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result_array = np.zeros((len(parameter_array_2), len(parameter_array_1)))
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i1 = 0
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for parameter_1 in parameter_array_1:
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i2 = 0
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for parameter_2 in parameter_array_2:
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result = function_name(parameter_1, parameter_2)
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result_array[i2, i1] = result
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i2 += 1
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i1 += 1
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return result_array
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# 循环三个参数计算某个函数，并返回计算结果的数组
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def loop_calculation_with_three_parameters(function_name, parameter_array_1, parameter_array_2, parameter_array_3):
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import numpy as np
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result_array = np.zeros((len(parameter_array_3), len(parameter_array_2), len(parameter_array_1)))
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i1 = 0
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for parameter_1 in parameter_array_1:
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i2 = 0
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for parameter_2 in parameter_array_2:
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i3 = 0
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for parameter_3 in parameter_array_3:
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result = function_name(parameter_1, parameter_2, parameter_3)
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result_array[i3, i2, i1] = result
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i3 += 1
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i2 += 1
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i1 += 1
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return result_array
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# 打印数组
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def print_array(array, line_break=0):
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if line_break == 0:
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# Module: deprecated
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def make_sh_file(sh_filename='a', command_line='python a.py', cpu_num=1, task_name='task', cd_dir=0):
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import guan
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print('Warning: The current function name has been deprecated, which will be deleted in the future version. Please change it into guan.make_sh_file_for_qsub().')
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guan.make_sh_file_for_qsub(sh_filename=sh_filename, command_line=command_line, cpu_num=cpu_num, task_name=task_name, cd_dir=cd_dir)
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def plot_without_starting_fig(plt, fig, ax, x_array, y_array, xlabel='x', ylabel='y', title='', fontsize=20, style='', y_min=None, y_max=None, linewidth=None, markersize=None, color=None, fontfamily='Times New Roman'):
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import guan
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print('Warning: The current function name has been deprecated, which will be deleted in the future version. Please change it into guan.plot_without_starting_fig_ax().')
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guan.plot_without_starting_fig_ax(plt, fig, ax, x_array, y_array, xlabel=xlabel, ylabel=ylabel, title=title, fontsize=fontsize, style=style, y_min=y_min, y_max=y_max, linewidth=linewidth, markersize=markersize, color=color, fontfamily=fontfamily)
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def draw_dots_and_lines_without_starting_fig(plt, fig, ax, coordinate_array, draw_dots=1, draw_lines=1, max_distance=1, line_style='-k', linewidth=1, dot_style='ro', markersize=3):
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import guan
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print('Warning: The current function name has been deprecated, which will be deleted in the future version. Please change it into guan.draw_dots_and_lines_without_starting_fig_ax().')
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guan.draw_dots_and_lines_without_starting_fig_ax(plt, fig, ax, coordinate_array, draw_dots=draw_dots, draw_lines=draw_lines, max_distance=max_distance, line_style=line_style, linewidth=linewidth, dot_style=dot_style, markersize=markersize)
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def get_days_of_the_current_month(str_or_datetime='str'):
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import guan
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print('Warning: The current function name has been deprecated, which will be deleted in the future version. Please change it into guan.get_date_array_of_the_current_month().')
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date_array = guan.get_date_array_of_the_current_month(str_or_datetime=str_or_datetime)
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return date_array
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def get_days_of_the_last_month(str_or_datetime='str'):
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import guan
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print('Warning: The current function name has been deprecated, which will be deleted in the future version. Please change it into guan.get_date_array_of_the_last_month().')
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date_array = guan.get_date_array_of_the_last_month(str_or_datetime=str_or_datetime)
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return date_array
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def get_days_of_the_month_before_last(str_or_datetime='str'):
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import guan
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print('Warning: The current function name has been deprecated, which will be deleted in the future version. Please change it into guan.get_date_array_of_the_month_before_last().')
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date_array = guan.get_date_array_of_the_month_before_last(str_or_datetime=str_or_datetime)
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return date_array
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def pdf_to_text(pdf_path):
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import guan
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print('Warning: The current function name has been deprecated, which will be deleted in the future version. Please change it into guan.pdf_to_text_with_pdfminer3k().')
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content = guan.pdf_to_text_with_pdfminer3k(pdf_path)
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return content
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def statistics_with_day_and_time(content='', filename='time_logging', file_format='.txt'):
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import guan
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print('Warning: The current function name has been deprecated, which will be deleted in the future version. Please change it into guan.logging_with_day_and_time().')
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guan.logging_with_day_and_time(content=content, filename=filename, file_format=file_format)
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# Module: functions_using_objects_of_custom_classes
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# 将原子对象列表转成多个独立列表
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def convert_atom_object_list_to_multiple_lists(atom_object_list):
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name_list = []
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index_list = []
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x_list = []
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y_list = []
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z_list = []
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energy_list = []
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for atom_object in atom_object_list:
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name_list.append(atom_object.name)
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index_list.append(atom_object.index)
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x_list.append(atom_object.x)
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y_list.append(atom_object.y)
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z_list.append(atom_object.z)
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energy_list.append(atom_object.energy)
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return name_list, index_list, x_list, y_list, z_list, energy_list
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# 将原子对象列表转成原子字典列表
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def convert_atom_object_list_to_atom_dict_list(atom_object_list):
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atom_dict_list = []
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for atom_object in atom_object_list:
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atom_dict = {
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'name': atom_object.name,
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'index': atom_object.index,
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'x': atom_object.x,
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'y': atom_object.y,
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'z': atom_object.z,
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'energy': atom_object.energy,
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}
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atom_dict_list.append(atom_dict)
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return atom_dict_list
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# 从原子对象列表中获取 (x, y) 坐标数组
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def get_coordinate_array_from_atom_object_list(atom_object_list):
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coordinate_array = []
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for atom in atom_object_list:
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x = atom.x
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y = atom.y
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coordinate_array.append([x, y])
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return coordinate_array
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# 从原子对象列表中获取 x 和 y 的最大值和最小值
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def get_max_min_x_y_from_atom_object_list(atom_object_list):
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import guan
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coordinate_array = guan.get_coordinate_array_from_atom_object_list(atom_object_list)
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x_array = []
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for coordinate in coordinate_array:
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x_array.append(coordinate[0])
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y_array = []
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for coordinate in coordinate_array:
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y_array.append(coordinate[1])
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max_x = max(x_array)
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min_x = min(x_array)
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max_y = max(y_array)
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min_y = min(y_array)
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return max_x, min_x, max_y, min_y
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# 从原子对象列表中获取满足坐标条件的索引
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def get_index_via_coordinate_from_atom_object_list(atom_object_list, x=0, y=0, z=0, eta=1e-3):
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for atom in atom_object_list:
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x_i = atom.x
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y_i = atom.y
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z_i = atom.z
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index = atom.index
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if abs(x-x_i)<eta and abs(y-y_i)<eta and abs(z-z_i)<eta:
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return index
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# 根据原子对象列表来初始化哈密顿量
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def initialize_hamiltonian_from_atom_object_list(atom_object_list):
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import numpy as np
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import guan
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dim = guan.dimension_of_array(atom_object_list[0].energy)
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num = len(atom_object_list)
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hamiltonian = np.zeros((dim*num, dim*num))
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for i0 in range(num):
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hamiltonian[i0*dim+0:i0*dim+dim, i0*dim+0:i0*dim+dim] = atom_object_list[i0].energy
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return hamiltonian
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@ -1147,7 +1147,7 @@ def statistics_of_guan_package(function_name=None):
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except:
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pass
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# Guan软件包升级检查和提示（如果无法连接或者版本为最新，那么均没有提示）
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# Guan软件包升级检查和提示（对于无法连接或者版本为最新的情况，检查结果都没有提示）
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def notification_of_upgrade(timeout=5):
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try:
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import guan
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@ -1157,4 +1157,140 @@ def notification_of_upgrade(timeout=5):
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if latest_version != current_version:
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print('升级提示：您当前使用的版本是 guan-'+current_version+'，目前已经有最新版本 guan-'+latest_version+'。您可以通过以下命令对软件包进行升级：pip install --upgrade guan -i https://pypi.python.org/simple 或 pip install --upgrade guan')
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except:
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pass
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pass
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# --- 自定义类和使用自定义类的函数 custom classes and functions using objects of custom classes ---
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# 原子类
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class Atom:
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def __init__(self, name='atom', index=0, x=0, y=0, z=0, energy=0):
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self.name = name
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self.index = index
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self.x = x
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self.y = y
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self.z = z
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self.energy = energy
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# 将原子对象列表转成多个独立列表
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def convert_atom_object_list_to_multiple_lists(atom_object_list):
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name_list = []
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index_list = []
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x_list = []
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y_list = []
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z_list = []
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energy_list = []
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for atom_object in atom_object_list:
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name_list.append(atom_object.name)
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index_list.append(atom_object.index)
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x_list.append(atom_object.x)
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y_list.append(atom_object.y)
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z_list.append(atom_object.z)
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energy_list.append(atom_object.energy)
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return name_list, index_list, x_list, y_list, z_list, energy_list
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# 将原子对象列表转成原子字典列表
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def convert_atom_object_list_to_atom_dict_list(atom_object_list):
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atom_dict_list = []
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for atom_object in atom_object_list:
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atom_dict = {
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'name': atom_object.name,
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'index': atom_object.index,
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'x': atom_object.x,
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'y': atom_object.y,
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'z': atom_object.z,
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'energy': atom_object.energy,
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}
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atom_dict_list.append(atom_dict)
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return atom_dict_list
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# 从原子对象列表中获取 (x, y) 坐标数组
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def get_coordinate_array_from_atom_object_list(atom_object_list):
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coordinate_array = []
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for atom in atom_object_list:
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x = atom.x
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y = atom.y
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coordinate_array.append([x, y])
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return coordinate_array
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# 从原子对象列表中获取 x 和 y 的最大值和最小值
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def get_max_min_x_y_from_atom_object_list(atom_object_list):
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import guan
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coordinate_array = guan.get_coordinate_array_from_atom_object_list(atom_object_list)
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x_array = []
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for coordinate in coordinate_array:
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x_array.append(coordinate[0])
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y_array = []
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for coordinate in coordinate_array:
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y_array.append(coordinate[1])
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max_x = max(x_array)
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min_x = min(x_array)
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max_y = max(y_array)
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min_y = min(y_array)
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return max_x, min_x, max_y, min_y
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# 从原子对象列表中获取满足坐标条件的索引
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def get_index_via_coordinate_from_atom_object_list(atom_object_list, x=0, y=0, z=0, eta=1e-3):
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for atom in atom_object_list:
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x_i = atom.x
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y_i = atom.y
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z_i = atom.z
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index = atom.index
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if abs(x-x_i)<eta and abs(y-y_i)<eta and abs(z-z_i)<eta:
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return index
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# 根据原子对象列表来初始化哈密顿量
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def initialize_hamiltonian_from_atom_object_list(atom_object_list):
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import numpy as np
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import guan
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dim = guan.dimension_of_array(atom_object_list[0].energy)
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num = len(atom_object_list)
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hamiltonian = np.zeros((dim*num, dim*num))
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for i0 in range(num):
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hamiltonian[i0*dim+0:i0*dim+dim, i0*dim+0:i0*dim+dim] = atom_object_list[i0].energy
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return hamiltonian
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# --- 废弃函数/版本兼容（不推荐使用，并可能在未来的版本中被移除）deprecated ---
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def make_sh_file(sh_filename='a', command_line='python a.py', cpu_num=1, task_name='task', cd_dir=0):
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import guan
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print('Warning: The current function name has been deprecated, which will be deleted in the future version. Please change it into guan.make_sh_file_for_qsub().')
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guan.make_sh_file_for_qsub(sh_filename=sh_filename, command_line=command_line, cpu_num=cpu_num, task_name=task_name, cd_dir=cd_dir)
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def plot_without_starting_fig(plt, fig, ax, x_array, y_array, xlabel='x', ylabel='y', title='', fontsize=20, style='', y_min=None, y_max=None, linewidth=None, markersize=None, color=None, fontfamily='Times New Roman'):
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import guan
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print('Warning: The current function name has been deprecated, which will be deleted in the future version. Please change it into guan.plot_without_starting_fig_ax().')
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guan.plot_without_starting_fig_ax(plt, fig, ax, x_array, y_array, xlabel=xlabel, ylabel=ylabel, title=title, fontsize=fontsize, style=style, y_min=y_min, y_max=y_max, linewidth=linewidth, markersize=markersize, color=color, fontfamily=fontfamily)
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def draw_dots_and_lines_without_starting_fig(plt, fig, ax, coordinate_array, draw_dots=1, draw_lines=1, max_distance=1, line_style='-k', linewidth=1, dot_style='ro', markersize=3):
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import guan
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print('Warning: The current function name has been deprecated, which will be deleted in the future version. Please change it into guan.draw_dots_and_lines_without_starting_fig_ax().')
|
||||
guan.draw_dots_and_lines_without_starting_fig_ax(plt, fig, ax, coordinate_array, draw_dots=draw_dots, draw_lines=draw_lines, max_distance=max_distance, line_style=line_style, linewidth=linewidth, dot_style=dot_style, markersize=markersize)
|
||||
|
||||
def get_days_of_the_current_month(str_or_datetime='str'):
|
||||
import guan
|
||||
print('Warning: The current function name has been deprecated, which will be deleted in the future version. Please change it into guan.get_date_array_of_the_current_month().')
|
||||
date_array = guan.get_date_array_of_the_current_month(str_or_datetime=str_or_datetime)
|
||||
return date_array
|
||||
|
||||
def get_days_of_the_last_month(str_or_datetime='str'):
|
||||
import guan
|
||||
print('Warning: The current function name has been deprecated, which will be deleted in the future version. Please change it into guan.get_date_array_of_the_last_month().')
|
||||
date_array = guan.get_date_array_of_the_last_month(str_or_datetime=str_or_datetime)
|
||||
return date_array
|
||||
|
||||
def get_days_of_the_month_before_last(str_or_datetime='str'):
|
||||
import guan
|
||||
print('Warning: The current function name has been deprecated, which will be deleted in the future version. Please change it into guan.get_date_array_of_the_month_before_last().')
|
||||
date_array = guan.get_date_array_of_the_month_before_last(str_or_datetime=str_or_datetime)
|
||||
return date_array
|
||||
|
||||
def pdf_to_text(pdf_path):
|
||||
import guan
|
||||
print('Warning: The current function name has been deprecated, which will be deleted in the future version. Please change it into guan.pdf_to_text_with_pdfminer3k().')
|
||||
content = guan.pdf_to_text_with_pdfminer3k(pdf_path)
|
||||
return content
|
||||
|
||||
def statistics_with_day_and_time(content='', filename='time_logging', file_format='.txt'):
|
||||
import guan
|
||||
print('Warning: The current function name has been deprecated, which will be deleted in the future version. Please change it into guan.logging_with_day_and_time().')
|
||||
guan.logging_with_day_and_time(content=content, filename=filename, file_format=file_format)
|
||||
Loading…
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Reference in New Issue
Block a user