lammps/dump format

dump format

Class: LAMMPSDumpFormat

Conversions

Convert from this format to System

dpdata.System(file_name: 'str', type_map: 'list[str]' = None, begin: 'int' = 0, step: 'int' = 1, unwrap: 'bool' = False, input_file: 'str' = None, fmt: Literal['lammps/dump'] = None) → dpdata.system.System

dpdata.System(file_name: 'str', type_map: 'list[str]' = None, begin: 'int' = 0, step: 'int' = 1, unwrap: 'bool' = False, input_file: 'str' = None, fmt: Literal['dump'] = None) → dpdata.system.System

dpdata.System.from_lammps_dump(file_name: 'str', type_map: 'list[str]' = None, begin: 'int' = 0, step: 'int' = 1, unwrap: 'bool' = False, input_file: 'str' = None) → dpdata.system.System

dpdata.System.from_dump(file_name: 'str', type_map: 'list[str]' = None, begin: 'int' = 0, step: 'int' = 1, unwrap: 'bool' = False, input_file: 'str' = None) → dpdata.system.System

Read the data from a lammps dump file.

Parameters:

file_namestr

The dump file name

type_mapList[str], optional

The atom type list

beginint, optional

The begin step

stepint, optional

The step

unwrapbool, optional

Whether to unwrap the coordinates

input_filestr, optional

The input file name

Returns:

System

converted system