ase1
Ase command line tool
Overview
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.
Releases
5 releases since Debian 7 (Wheezy); the text changed 4 times.
--version since Debian 10 (Buster).
--atomize until Debian 7 (Wheezy);
--bond-length until Debian 7 (Wheezy);
--clean until Debian 7 (Wheezy);
--constrain-tags until Debian 7 (Wheezy);
--contains until Debian 7 (Wheezy);
--fit until Debian 7 (Wheezy);
--gui until Debian 7 (Wheezy);
--interactive-python-session until Debian 7 (Wheezy);
--k-point-density until Debian 7 (Wheezy);
--magnetic-moment until Debian 7 (Wheezy);
--modify until Debian 7 (Wheezy);
--monkhorst-pack until Debian 7 (Wheezy);
--parameters until Debian 7 (Wheezy);
--relax until Debian 7 (Wheezy);
--slice until Debian 7 (Wheezy);
--tag until Debian 7 (Wheezy);
--unit-cell until Debian 7 (Wheezy);
--use-lock-files until Debian 7 (Wheezy);
--vacuum until Debian 7 (Wheezy);
--write-summary until Debian 7 (Wheezy);
--write-to-file until Debian 7 (Wheezy);
-F until Debian 7 (Wheezy);
-G until Debian 7 (Wheezy);
-M until Debian 7 (Wheezy);
-R until Debian 7 (Wheezy);
-i until Debian 7 (Wheezy);
-k until Debian 7 (Wheezy);
-l until Debian 7 (Wheezy);
-p until Debian 7 (Wheezy);
-s until Debian 7 (Wheezy);
-t until Debian 7 (Wheezy);
-v until Debian 7 (Wheezy);
-w until Debian 7 (Wheezy).