optional arguments:¶

-h, --help

show this help message and exit

--version

show program's version number and exit

-T, --traceback

Sub-commands:¶

{help, info, test, gui, db, run, band-structure, build, eos, ulm, find, nomad-upload, nomad-get, convert, reciprocal, completion}

help

Help for sub-command.

info

Print information about files or system.

test

Run ASE's test-suite.

gui

ASE's graphical user interface.

db

Manipulate and query ASE database.

run

Run calculation with one of ASE's calculators.

band-structure

Plot band-structure.

build

Build an atom, molecule or bulk structure.

eos

Calculate EOS from one or more trajectory files.

ulm

Manipulate/show content of ulm-file.

find

Find files with atoms in them.

nomad-upload

Upload files to NOMAD.

nomad-get

Get calculations from NOMAD and write to JSON files.

convert

Convert between file formats.

reciprocal

Show the reciprocal space.

completion

Add tab-completion for Bash.