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0.2.0

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guanjihuan
2026-11-02 17:00:28 +08:00
parent 5d0f629439
commit 9ed39b51f7
43 changed files with 7163 additions and 151 deletions
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PyPI/src/guan/others.py
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@@ -1282,50 +1282,4 @@ def initialize_hamiltonian_from_atom_object_list(atom_object_list):
hamiltonian = np.zeros((dim*num, dim*num))
for i0 in range(num):
hamiltonian[i0*dim+0:i0*dim+dim, i0*dim+0:i0*dim+dim] = atom_object_list[i0].energy
return hamiltonian
# --- 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 ---
def make_sh_file(sh_filename='a', command_line='python a.py', cpu_num=1, task_name='task', cd_dir=0):
import guan
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().')
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)
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'):
import guan
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().')
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)
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):
import guan
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)
return hamiltonian