0.1.160
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		| @@ -1,7 +1,7 @@ | ||||
| [metadata] | ||||
| # replace with your username: | ||||
| name = guan | ||||
| version = 0.1.159 | ||||
| version = 0.1.160 | ||||
| author = guanjihuan | ||||
| author_email = guanjihuan@163.com | ||||
| description = An open source python package | ||||
|   | ||||
| @@ -1,6 +1,6 @@ | ||||
| Metadata-Version: 2.2 | ||||
| Name: guan | ||||
| Version: 0.1.159 | ||||
| Version: 0.1.160 | ||||
| Summary: An open source python package | ||||
| Home-page: https://py.guanjihuan.com | ||||
| Author: guanjihuan | ||||
|   | ||||
| @@ -9,6 +9,22 @@ def get_coordinate_array_from_atom_object_list(atom_object_list): | ||||
|         coordinate_array.append([x, y]) | ||||
|     return coordinate_array | ||||
|  | ||||
| # 从原子对象列表中获取 x 和 y 的最大值和最小值 | ||||
| def get_max_min_x_y_from_atom_object_list(atom_object_list): | ||||
|     import guan | ||||
|     coordinate_array = guan.get_coordinate_array_from_atom_object_list(atom_object_list) | ||||
|     x_array = [] | ||||
|     for coordinate in coordinate_array: | ||||
|         x_array.append(coordinate[0]) | ||||
|     y_array = [] | ||||
|     for coordinate in coordinate_array: | ||||
|         y_array.append(coordinate[1]) | ||||
|     max_x = max(x_array) | ||||
|     min_x = min(x_array) | ||||
|     max_y = max(y_array) | ||||
|     min_y = min(y_array) | ||||
|     return max_x, min_x, max_y, min_y | ||||
|  | ||||
| # 根据原子对象列表来初始化哈密顿量 | ||||
| def initialize_hamiltonian_from_atom_object_list(atom_object_list): | ||||
|     import numpy as np | ||||
|   | ||||
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