.\" DO NOT MODIFY THIS FILE! It was generated by help2man 1.37.1. .TH AG "1" "May 2012" "ag 3.6.0" "User Commands" .SH NAME ag \- manual page for ag 3.6.0 .SH SYNOPSIS .B ag [\fIoptions\fR] [\fIfile\fR[\fI, file2, \fR...]] .SH DESCRIPTION See the online manual (https://wiki.fysik.dtu.dk/ase/ase/gui.html) for more information. .SH OPTIONS .TP \fB\-\-version\fR show program's version number and exit .TP \fB\-h\fR, \fB\-\-help\fR show this help message and exit .TP \fB\-n\fR NUMBER, \fB\-\-image\-number\fR=\fINUMBER\fR 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. .TP \fB\-u\fR I, \fB\-\-show\-unit\-cell\fR=\fII\fR 0: Don't show unit cell. 1: Show unit cell. 2: Show all of unit cell. .TP \fB\-r\fR REPEAT, \fB\-\-repeat\fR=\fIREPEAT\fR Repeat unit cell. Use "\-r 2" or "\-r 2,3,1". .TP \fB\-R\fR ROTATIONS, \fB\-\-rotations\fR=\fIROTATIONS\fR Examples: "\-R \fB\-90x\fR", "\-R 90z,\-30x". .TP \fB\-o\fR FILE, \fB\-\-output\fR=\fIFILE\fR Write configurations to FILE. .TP \fB\-g\fR EXPR, \fB\-\-graph\fR=\fIEXPR\fR 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. .TP \fB\-t\fR, \fB\-\-terminal\fR Run in terminal window \- no GUI. .TP \fB\-\-aneb\fR Read ANEB data. .TP \fB\-\-interpolate\fR=\fIN\fR Interpolate N images between 2 given images. .TP \fB\-b\fR, \fB\-\-bonds\fR Draw bonds between atoms. .TP \fB\-s\fR FLOAT, \fB\-\-scale\fR=\fIFLOAT\fR Scale covalent radii.