ase-gui1
Graphical user interface for ase
Usage
ase-gui [options]
[file
[,
file2, ...]]
Overview
See the online manual (https://wiki.fysik.dtu.dk/ase/ase/gui/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/gui.html #plotting-data 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.
-
-v, --verbose -
Verbose mode.