Command line interface

dpdata: Manipulating multiple atomic simulation data formats

usage: dpdata [-h] [--to_file TO_FILE] [--from_format FROM_FORMAT]
              [--to_format TO_FORMAT] [--no-labeled] [--multi]
              [--type-map TYPE_MAP [TYPE_MAP ...]] [--version]
              from_file

Positional Arguments

from_file

read data from a file

Named Arguments

--to_file, -O

dump data to a file

--from_format, -i

the format of from_file

Default: “auto”

--to_format, -o

the format of to_file

--no-labeled, -n

labels aren’t provided

Default: False

--multi, -m

the system contains multiple directories

Default: False

--type-map, -t

type map

--version

show program’s version number and exit