.\" DO NOT MODIFY THIS FILE!  It was generated by help2man 1.47.17.
.TH ASE "1" "January 2021" "ase 3.21.1" "User Commands"
.SH NAME
ase \- ASE command line tool
.SH DESCRIPTION
usage: ase [\-h] [\-\-version] [\-T]
.IP
{help, info, test, gui, db, run, band\-structure, build, dimensionality, eos, ulm, find, nebplot, nomad\-upload, nomad\-get, convert, reciprocal, completion, diff, exec}
\&...
.PP
ASE command line tool.
.SS "optional arguments:"
.TP
\fB\-h\fR, \fB\-\-help\fR
show this help message and exit
.TP
\fB\-\-version\fR
show program's version number and exit
.HP
\fB\-T\fR, \fB\-\-traceback\fR
.SS "Sub-commands:"
.IP
{help, info, test, gui, db, run, band\-structure, build, dimensionality, eos, ulm, find, nebplot, nomad\-upload, nomad\-get, convert, reciprocal, completion, diff, exec}
.TP
help
Help for sub\-command.
.TP
info
Print information about files or system.
.TP
test
Run ASE's test\-suite.
.TP
gui
ASE's graphical user interface.
.TP
db
Manipulate and query ASE database.
.TP
run
Run calculation with one of ASE's calculators.
.TP
band\-structure
Plot band\-structure.
.TP
build
Build an atom, molecule or bulk structure.
.TP
dimensionality
Analyze the dimensionality of the bonded clusters in a
structure, using
.TP
eos
Calculate EOS from one or more trajectory files.
.TP
ulm
Manipulate/show content of ulm\-file.
.TP
find
Find files with atoms in them.
.TP
nebplot
Analyze NEB trajectories by making band plots.
.TP
nomad\-upload
Upload files to NOMAD.
.TP
nomad\-get
Get calculations from NOMAD and write to JSON files.
.TP
convert
Convert between file formats.
.TP
reciprocal
Show the reciprocal space.
.TP
completion
Add tab\-completion for Bash.
.TP
diff
Print differences between atoms/calculations.
.TP
exec
Execute code on files.