NAME
ase - ASE command line tool
DESCRIPTION
usage: ase [-h] [--version] [-T]
-
{help, info, test, gui, db, run, band-structure, build, dimensionality, eos, ulm, find, nebplot, nomad-upload, nomad-get, convert, reciprocal, completion, diff, exec} ...
ASE command line tool.
options:
- -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, dimensionality, eos, ulm, find, nebplot, nomad-upload, nomad-get, convert, reciprocal, completion, diff, exec}
- 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.
- dimensionality
-
Analyze the dimensionality of the bonded clusters in a structure, using
- eos
-
Calculate EOS from one or more trajectory files.
- ulm
-
Manipulate/show content of ulm-file.
- find
-
Find files with atoms in them.
- nebplot
-
Analyze NEB trajectories by making band plots.
- 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.
- diff
-
Print differences between atoms/calculations.
- exec
-
Execute code on files.