0.1.160
This commit is contained in:
		| @@ -1,7 +1,7 @@ | |||||||
| [metadata] | [metadata] | ||||||
| # replace with your username: | # replace with your username: | ||||||
| name = guan | name = guan | ||||||
| version = 0.1.159 | version = 0.1.160 | ||||||
| author = guanjihuan | author = guanjihuan | ||||||
| author_email = guanjihuan@163.com | author_email = guanjihuan@163.com | ||||||
| description = An open source python package | description = An open source python package | ||||||
|   | |||||||
| @@ -1,6 +1,6 @@ | |||||||
| Metadata-Version: 2.2 | Metadata-Version: 2.2 | ||||||
| Name: guan | Name: guan | ||||||
| Version: 0.1.159 | Version: 0.1.160 | ||||||
| Summary: An open source python package | Summary: An open source python package | ||||||
| Home-page: https://py.guanjihuan.com | Home-page: https://py.guanjihuan.com | ||||||
| Author: guanjihuan | Author: guanjihuan | ||||||
|   | |||||||
| @@ -9,6 +9,22 @@ def get_coordinate_array_from_atom_object_list(atom_object_list): | |||||||
|         coordinate_array.append([x, y]) |         coordinate_array.append([x, y]) | ||||||
|     return coordinate_array |     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 | # 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): | def initialize_hamiltonian_from_atom_object_list(atom_object_list): | ||||||
|     import numpy as np |     import numpy as np | ||||||
|   | |||||||
		Reference in New Issue
	
	Block a user