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11.2 Plotting

[PLOT,[[CMD=]unix_plot_command],[FILE=plotfile],[NOPLOT]

Execute a plotting program using the table as data. PLOT is a subcommand of TABLE and must follow TABLE or any of its valid subcommands given in the previous section. unix_plot_command consists of the unix 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, only the xmgrace, grace, gracebat and xmgr programs with all numerical data are supported, although use of xmgr is deprecated, and may not be possible in future versions.

By default the input file for the plotting program is saved in molpro_plot.dat. The name of the plotfile can be modified using the FILE (or PLOTFILE) directive. FILE implies that the plot is not shown on the screen but all plot data are saved in the given file. The plot on the screen can also be suppressed with the NOPLOT option.


P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002