aesp.utils package

aesp.utils package#

Submodules#

aesp.utils.deepmd module#

aesp.utils.dispatcher module#

aesp.utils.dpgen2 module#

aesp.utils.dpgen2.init_executor(executor_dict)#
aesp.utils.dpgen2.set_directory(path: Path)#

Sets the current working path within the context.

Parameters#

pathPath

The path to the cwd

Yields#

None

Examples#

>>> with set_directory("some_path"):
...    do_something()

aesp.utils.plotly_graph module#

aesp.utils.plotly_graph.draw_con_mut_factor(x_index, continuos_mut_factor, path)#
aesp.utils.plotly_graph.draw_diversity(data, path)#
aesp.utils.plotly_graph.draw_ea(data, info_dict, path, key)#
aesp.utils.plotly_graph.draw_prob(x_index, info, path, key)#
aesp.utils.plotly_graph.draw_size(data, path)#

aesp.utils.run_command module#

aesp.utils.run_command.run_command(cmd: str | List[str], shell: bool = False) → Tuple[int, str, str]#

aesp.utils.tool module#

aesp.utils.tool.expand_idx(in_list)#
aesp.utils.tool.format_ranges(lst)#

status格式化使用

aesp.utils.tool.get_kpoints(structure: Structure, kppa: float, force_gamma: bool = False)#

kpoints产生

aesp.utils.tool.print_in_box(text, width)#

将给定文本打印在一个框内，能处理文本中的制表符和换行符，并自动进行合适的排版。

Contents