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pesplot

Produces clean, publication quality plots of potential energy surfaces.

Usage

See example/input.dat for an example input file.

Input file syntax

$energies
<name1> <energy>
<name2> <energy>
...
$end
$connect
<name1> & <name2>
...
$end
$plot_format
<option_name> <option_val>
$end

Options

name behavior
y_axis_top_extend Extend top of y axis this far beyond max energy
y_axis_bot_extend Extend bottom of y axis this far beyond min energy
y_axis_label
x_axis_right_extend
x_axis_label
name_vshift_scale
name_font_size
energy_vshift_scale
energy_font_size
species_line_spacing
species_line_length
species_line_width
connection_line_width
latex_text
ytick_min
ytick_min
`ytick_intvl

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