plot-icohp-distance

plot-icohp-distance#

Plot ICOHPs or ICOOPs or ICOBIs with respect to bond lengths.

Hint

Aliases available

  • ploticohpdistance

usage: lobsterpy plot-icohp-distance [-h] [-ficohp ICOHPLIST]
                                     [--fontsize FONTSIZE] [-ht HEIGHT]
                                     [--hideplot] [-nbs]
                                     [-sty STYLE [STYLE ...]]
                                     [--save-plot FILENAME] [--title TITLE]
                                     [-wd WIDTH] [-x XLIM XLIM] [-y YLIM YLIM]
                                     [--fwhm FWHM | --sigma SIGMA] [--cobis]
                                     [--coops] [-alpha ALPHA] [-cbonds]
                                     [-c COLORS [COLORS ...]]
                                     [-lprefix LEGENDPREFIX]
                                     [-msize MARKERSIZE] [-mstyle MARKERSTYLE]

Named Arguments#

-ficohp, --file-icohplist

path to ICOHPLIST.lobster. Default is “ICOHPLIST.lobster”

Default: ICOHPLIST.lobster

--fwhm

Full-width-half-maximum of Gaussian broadening.

--sigma

Standard deviation of Gaussian broadening.

Plotting#

--fontsize, --font-size

Base font size

-ht, --height

Plot height in inches

--hideplot, --hide-plot

Hide plot output. Especially relevant when plots are saved.

Default: False

-nbs, --no-base-style, --nobasestyle

Disable inbuilt style entirely. This may prevent interference with external stylesheets when using –style.

Default: False

-sty, --style

Matplotlib style sheet(s) for plot appearance

--save-plot, --saveplot, -s

Save plot to file

--title

Plot title

Default: ''

-wd, --width

Plot width in inches

-x, --xlim

Set x-axis limits for the plots

-y, --ylim

Set y-axis limits for the plots

Arguments to switch type of files analyzed during automatic analysis (Also indicates file to be read for ‘plot/plot-icohp-distance/plot-bwdf’ action in cli)#

--cobis, --cobis

Setting this option starts automatic bonding analysis using COBIs (Also indicates plotter that input file contains COBI data)

Default: False

--coops, --coops

Setting this option starts automatic bonding analysis using COOPs (Also indicates plotter that input file contains COOP data)

Default: False

Options specific to ICOHP distance plotter#

-alpha

Transparency of the markers in the plot.

Default: 0.4

-cbonds, --colorbonds, --color-bonds

If set, will color ICOHPs based on atom types

Default: False

-c, --colors

Custom list of colors for the plot. Should be equal to the number of unique atom pairs in the structure.

-lprefix, --legendprefix, --legend-prefix

Prefix for the legend in the plot.

Default: ''

-msize, --markersize, --marker-size

Size of the markers in the plot.

Default: 50

-mstyle, --markerstyle, --marker-style

Marker style for the plot.

Default: 'o'