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AG(1) User Commands AG(1)

NAME

ag - manual page for ag 3.6.0

SYNOPSIS

ag [ options] [file[, file2, ...]]

DESCRIPTION

See the online manual (https://wiki.fysik.dtu.dk/ase/ase/gui.html) for more information.

OPTIONS

--version
show program's version number and exit
-h, --help
show this help message and exit
-n NUMBER, --image-number=NUMBER
Pick image(s) from trajectory. NUMBER can be a single number (use a negative number to count from the back) or a range: start:stop:step, where the ":step" part can be left out - default values are 0:nimages:1.
-u I, --show-unit-cell=I
0: Don't show unit cell. 1: Show unit cell. 2: Show all of unit cell.
-r REPEAT, --repeat=REPEAT
Repeat unit cell. Use "-r 2" or "-r 2,3,1".
-R ROTATIONS, --rotations=ROTATIONS
Examples: "-R -90x", "-R 90z,-30x".
-o FILE, --output=FILE
Write configurations to FILE.
-g EXPR, --graph=EXPR
Plot x,y1,y2,... graph from configurations or write data to sdtout in terminal mode. Use the symbols: i, s, d, fmax, e, ekin, A, R, E and F. See https://wiki.fysik.dtu.dk/ase/ase/gui.html#plottingdata for more details.
-t, --terminal
Run in terminal window - no GUI.
--aneb
Read ANEB data.
--interpolate=N
Interpolate N images between 2 given images.
-b, --bonds
Draw bonds between atoms.
-s FLOAT, --scale=FLOAT
Scale covalent radii.
May 2012 ag 3.6.0