Merge branch 'main' of https://github.com/romerogroup/pyprocar

pyprocar/cfg/band_structure.yml

@@ -0,0 +1,101 @@
+spin_colors:
+  description: The colors for the plot lines.
+  value:
+  - blue
+  - red
+color:
+  description: The colors for the plot lines.
+  value: 'black'
+cmap:
+  description: The colormap used for the plot.
+  value: jet
+clim:
+    description: The color scale for the color bar
+    value: 
+    -
+    -
+fermi_color:
+  description: The color of the Fermi line.
+  value: blue
+fermi_linestyle:
+  description: The linestyle of the Fermi line.
+  value: dotted
+fermi_linewidth:
+  description: The linewidth of the Fermi line.
+  value: 1
+grid:
+  description: If true, a grid will be shown on the plot.
+  value: false
+grid_axis:
+  description: Which axis (or both) the grid lines should be drawn on.
+  value: both
+grid_color:
+  description: The color of the grid lines.
+  value: grey
+grid_linestyle:
+  description: The linestyle of the grid lines.
+  value: solid
+grid_linewidth:
+  description: The linewidth of the grid lines.
+  value: 1
+grid_which:
+  description: Which grid lines to draw (major, minor or both).
+  value: major
+label:
+  description: The labels for the plot lines.
+  value:
+  - $\uparrow$
+  - $\downarrow$
+legend:
+  description: If true, a legend will be shown on the plot.
+  value: true
+linestyle:
+  description: The linestyles for the plot lines.
+  value:
+  - solid
+  - dashed
+linewidth:
+  description: The linewidths for the plot lines.
+  value:
+  - 1.0
+  - 1.0
+marker:
+  description: The marker styles for the plot points.
+  value:
+  - o
+  - v
+  - ^
+  - D
+markersize:
+  description: The size of the markers for the plot points.
+  value:
+  - 0.2
+  - 0.2
+opacity:
+  description: The opacities for the plot lines.
+  value:
+  - 1.0
+  - 1.0
+plot_color_bar:
+  description: If true, a color bar will be shown on the plot.
+  value: true
+savefig:
+  description: The file name to save the figure. If null, the figure will not be saved.
+  value: null
+title:
+  description: The title for the plot. If null, no title will be displayed.
+  value: null
+weighted_color:
+  description: If true, the color of the lines will be weighted.
+  value: true
+weighted_width:
+  description: If true, the width of the lines will be weighted.
+  value: false
+figure_size:
+  description: The size of the figure (width, height) in inches.
+  value:
+  - 9
+  - 6
+dpi:
+  description: The resolution in dots per inch. If 'figure', use the figure's dpi value.
+  value: 'figure'

pyprocar/cfg/band_structure_2d.yml

@@ -0,0 +1,138 @@
+
+surface_cmap: 
+  value: 'jet'
+  description: Controls the colormap of the surface
+surface_color:
+  value: 
+  description: Controls the color of the surface
+surface_spinpol_colors:
+  value: []
+  description: Controls the colors of the spin polarized surface
+surface_bands_colors : 
+  value: []
+  description: Controls the color of the surface per band
+surface_opacity: 
+  value: 1.0
+  description: Controls the opacity of the surface
+surface_clim : 
+  value: 
+  description: Controls the color scale on the surface
+
+brillouin_zone_style: 
+  value: "wireframe"
+  description: Controls the wireframe style of the brillouin zone
+brillouin_zone_line_width:
+  value: 3.5
+  description: Controls the linewidth of the brillouin zone
+brillouin_zone_color: 
+  value: "black"
+  description: Controls the color of the wireframe of the brillouin zone
+brillouin_zone_opacity:
+  value: 1.0
+  description: Controls the opacity of the wireframe of the brillouin zone
+
+texture_cmap: 
+  value: "jet"
+  description: Controls the colormap of the texture
+texture_color: 
+  value: 
+  description: Controls the color of the texture
+texture_size:
+  value: 0.1
+  description: Controls the size of the texture
+texture_scale: 
+  value: False
+  description: Controls the scaling of the texture
+texture_opacity:
+  value: 1.0
+  description: Controls the opacity of the texture
+
+add_axes :
+  value: True
+  description: Controls if there should be direction axes
+x_axes_label: 
+  value: "Kx"
+  description: Controls kx axis label
+y_axes_label: 
+  value: "Ky"
+  description: Controls ky axis label
+z_axes_label:
+  value: "Kz"
+  description: Controls kz axis label
+axes_label_color: 
+  value: "black"
+  description: Controls axes label color
+axes_line_width: 
+  value: 6
+  description: Controls the linewdith of th axes label
+
+add_scalar_bar:
+  value: True
+  description: Controls if there is a colorbar
+scalar_bar_labels: 
+  value: 6
+  description: Controls the scalar bar labels
+scalar_bar_italic:
+  value: False
+  description: Controls the label italic style
+scalar_bar_bold:
+  value: False
+  description: Controls the label bold style
+scalar_bar_title_font_size: 
+  value:
+  description: Controls scalar bar title font size
+scalar_bar_label_font_size: 
+  value:
+  description: Controls scalar bar label font size
+scalar_bar_position_x: 
+  value: 0.4
+  description: Controls scalar bar x position
+scalar_bar_position_y: 
+  value: 0.01
+  description: Controls scalar bar y position
+scalar_bar_color:
+  value: 'black'
+  description: Controls scalar bar outline color
+
+background_color:
+  value: 'white'
+  description: Controls the background color
+
+orbit_gif_n_points :
+  value: 36
+  description: Controls the number of point on the orbit
+orbit_gif_step:
+  value: 0.05
+  description: Controls the step size of the orbit
+orbit_mp4_n_points:
+  value: 36
+  description: Controls the number of point on the orbit
+orbit_mp4_step:
+  value: 0.05
+  description: Controls the step size of the orbit
+
+plotter_offscreen:
+  value: False
+  description: Controls whether the plotter renders offscreen
+plotter_camera_pos:
+  value: [1, 1, 1]
+  description:  Controls the caemera position of the plotter
+
+
+isoslider_title:
+  value: 'Energy iso-value'
+  description:  Controls title of the isoslider
+isoslider_style:
+  value: 'modern'
+  description:  Controls isoslider  style
+isoslider_color:
+  value: 'black'
+  description:  Controls isoslider color
+
+cross_section_slice_linewidth:
+  value: 5.0
+  description:  Controls the linewidth of the slice\
+
+cross_section_slice_show_area:
+  value: False
+  description:  Controls wheather to show the cross section area

pyprocar/cfg/dos.yml

@@ -0,0 +1,136 @@
+cmap:
+  description: The colormap used for the plot.
+  value: jet
+colors:
+  description: List of colors for the plot lines.
+  value:
+  - red
+  - green
+  - blue
+  - cyan
+  - magenta
+  - yellow
+  - orange
+  - purple
+  - brown
+  - navy
+  - maroon
+  - olive
+fermi_color:
+  description: The color of the Fermi line.
+  value: black
+fermi_linestyle:
+  description: The linestyle of the Fermi line.
+  value: dotted
+fermi_linewidth:
+  description: The linewidth of the Fermi line.
+  value: 1
+figure_size:
+  description: The size of the figure (width, height) in inches.
+  value:
+  - 9
+  - 6
+font:
+  description: The font style for the plot text.
+  value: Arial
+font_size:
+  description: The size of the font used in the plot.
+  value: 16
+grid:
+  description: If true, a grid will be shown on the plot.
+  value: false
+grid_axis:
+  description: Which axis (or both) the grid lines should be drawn on.
+  value: both
+grid_color:
+  description: The color of the grid lines.
+  value: grey
+grid_linestyle:
+  description: The linestyle of the grid lines.
+  value: solid
+grid_linewidth:
+  description: The linewidth of the grid lines.
+  value: 1
+grid_which:
+  description: Which grid lines to draw (major, minor or both).
+  value: major
+legend:
+  description: If true, a legend will be shown on the plot.
+  value: true
+linestyle:
+  description: The linestyles for the plot lines.
+  value:
+  - solid
+  - dashed
+linewidth:
+  description: The linewidths for the plot lines.
+  value:
+  - 1
+  - 1
+marker:
+  description: The marker styles for the plot points.
+  value:
+  - o
+  - v
+  - ^
+  - D
+markersize:
+  description: The size of the markers for the plot points.
+  value:
+  - 0.2
+  - 0.2
+opacity:
+  description: The opacities for the plot lines.
+  value:
+  - 1.0
+  - 1.0
+plot_bar:
+  description: If true, a bar plot will be displayed.
+  value: true
+plot_color_bar:
+  description: If true, a color bar will be shown on the plot.
+  value: true
+plot_total:
+  description: If true, the total plot will be displayed.
+  value: true
+savefig:
+  description: The file name to save the figure. If null, the figure will not be saved.
+  value: null
+spin_colors:
+  description: The colors for the spin up and spin down lines.
+  value:
+  - black
+  - red
+spin_labels:
+  description: The labels for the spin up and spin down.
+  value:
+  - $\uparrow$
+  - $\downarrow$
+title:
+  description: The title for the plot. If null, no title will be displayed.
+  value: null
+verbose:
+  description: If true, the program will print detailed information.
+  value: true
+weighted_color:
+  description: If true, the color of the lines will be weighted.
+  value: true
+weighted_width:
+  description: If true, the width of the lines will be weighted.
+  value: false
+clim:
+  description: Value range to scale the colorbar
+  value:
+stack_y_label:
+  description: The label for the y-axis for stack mode
+  value: DOS
+x_label:
+  description: The label for the x-axis.
+  value: Energy (eV)
+y_label:
+  description: The label for the y-axis.
+  value: DOS
+dpi:
+  description: The resolution in dots per inch. If 'figure', use the figure's dpi value.
+  value: 'figure'
+