MOLPRO

9 TABLES AND PLOTTING 60
plotted; if a single column is specified, it will be used as abscissa, and all other columns in the
table will be plotted as ordinate. options can be chosen from the following.
CMD=unix plot command
FILE=plotfile
INTERACTIVE
TYPE=type
BACKGROUND=rgb
unix plot command consists of the system command needed
to start the plotting program, followed by any required options.
The whole thing should normally be enclosed in quotation
marks to preserve lower-case letters. The default is ’xmgrace’.
At present, the Grace program (also known as xmgrace, grace,
gracebat), with only numerical data, is supported. The output
is also compatible with the portable drop-in replacement
for Grace, AptPlot, and if Grace is not found on the system,
Molpro will attempt to use AptPlot as default instead.
By default the input file for the plotting program is saved in
input.tablen.plotm.agr, where m is an automatically generated
sequence number. The name of the plotfile can be modified
using the FILE option.
By default, the plot is not shown on the screen but all plot data
are saved in the given file. The plotting program can be started
interactively by giving the INTERACTIVE option.
If TYPE is specified, type should be set to one of pdf, svg,
png, jpeg or eps. The result is that the gracebat program
is executed on the plot input file to generate the graph
output file in the desired format. This feature depends on the
availability of gracebat, and on it supporting the requested
output format (for example, at present pdf is supported under
Mac OS X, but not in some Linux systems).
rgb should be a string of six hexadecimal digits specifying the
red-green-blue colour to use for the background of the plot.
BACKGROUND=TRANSPARENT The background of the plot is made transparent (currently implemented
only for TYPE=svg).
NOSPLINE
Prevents spline interpolation of data points
NSPLINE=number Number of interpolation points (default 20)
LEGEND=’x, y’
LEGEND=OFF
PCOMMAND=’command’
Position legend at (x,y) on plot.
Do not draw legend; this behaviour is chosen automatically
when there is only a single ordinate dataset.
Insert arbitrary Grace command into the plot file; for details,
consult http://plasma-gate.weizmann.ac.il/Grace/doc/UsersGuide.html#s5.
The following additional directives can be given before the PLOT directive:
COLOUR,icolour1, icolour2,...
COLOUR,rgb1, rgb2,...
SYMBOL,isymb1, isymb2,...
Colour map to be used for columns 1,2,...; zero means to use
default values (colours black, blue, red, green cycle)
Absolute colours (6-hex-digit rgb values) to be used for columns
1,2,...;
Symbol types to be used for columns 1,2,...; -1 means no symbols;
zero means to use default values.
LINEWIDTH,width1, width2,... Line widths to be used for columns 1,2,...; omit to use default
values.