matterviz 0.3.0 → 0.3.2
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/dist/FilePicker.svelte +37 -20
- package/dist/Icon.svelte +2 -2
- package/dist/MillerIndexInput.svelte +60 -0
- package/dist/MillerIndexInput.svelte.d.ts +7 -0
- package/dist/app.css +38 -2
- package/dist/brillouin/BrillouinZone.svelte +20 -62
- package/dist/brillouin/BrillouinZone.svelte.d.ts +1 -1
- package/dist/brillouin/BrillouinZoneExportPane.svelte +12 -20
- package/dist/brillouin/BrillouinZoneScene.svelte +2 -2
- package/dist/brillouin/BrillouinZoneScene.svelte.d.ts +1 -1
- package/dist/chempot-diagram/ChemPotDiagram.svelte +192 -0
- package/dist/chempot-diagram/ChemPotDiagram.svelte.d.ts +13 -0
- package/dist/chempot-diagram/ChemPotDiagram2D.svelte +677 -0
- package/dist/chempot-diagram/ChemPotDiagram2D.svelte.d.ts +16 -0
- package/dist/chempot-diagram/ChemPotDiagram3D.svelte +2688 -0
- package/dist/chempot-diagram/ChemPotDiagram3D.svelte.d.ts +16 -0
- package/dist/chempot-diagram/ChemPotScene3D.svelte +8 -0
- package/dist/chempot-diagram/ChemPotScene3D.svelte.d.ts +7 -0
- package/dist/chempot-diagram/color.d.ts +10 -0
- package/dist/chempot-diagram/color.js +33 -0
- package/dist/chempot-diagram/compute.d.ts +38 -0
- package/dist/chempot-diagram/compute.js +650 -0
- package/dist/chempot-diagram/index.d.ts +5 -0
- package/dist/chempot-diagram/index.js +5 -0
- package/dist/chempot-diagram/pointer.d.ts +16 -0
- package/dist/chempot-diagram/pointer.js +40 -0
- package/dist/chempot-diagram/temperature.d.ts +15 -0
- package/dist/chempot-diagram/temperature.js +37 -0
- package/dist/chempot-diagram/types.d.ts +83 -0
- package/dist/chempot-diagram/types.js +27 -0
- package/dist/colors/index.d.ts +3 -1
- package/dist/colors/index.js +4 -0
- package/dist/composition/BarChart.svelte +13 -22
- package/dist/composition/BubbleChart.svelte +5 -3
- package/dist/composition/FormulaFilter.svelte +770 -90
- package/dist/composition/FormulaFilter.svelte.d.ts +37 -1
- package/dist/composition/PieChart.svelte +43 -18
- package/dist/composition/PieChart.svelte.d.ts +1 -1
- package/dist/constants.d.ts +1 -0
- package/dist/constants.js +2 -0
- package/dist/convex-hull/ConvexHull.svelte +14 -1
- package/dist/convex-hull/ConvexHull.svelte.d.ts +1 -1
- package/dist/convex-hull/ConvexHull2D.svelte +14 -45
- package/dist/convex-hull/ConvexHull2D.svelte.d.ts +1 -1
- package/dist/convex-hull/ConvexHull3D.svelte +396 -134
- package/dist/convex-hull/ConvexHull3D.svelte.d.ts +1 -1
- package/dist/convex-hull/ConvexHull4D.svelte +93 -42
- package/dist/convex-hull/ConvexHull4D.svelte.d.ts +1 -1
- package/dist/convex-hull/ConvexHullControls.svelte +94 -31
- package/dist/convex-hull/ConvexHullControls.svelte.d.ts +4 -2
- package/dist/convex-hull/ConvexHullStats.svelte +697 -128
- package/dist/convex-hull/ConvexHullStats.svelte.d.ts +6 -1
- package/dist/convex-hull/ConvexHullTooltip.svelte +1 -0
- package/dist/convex-hull/GasPressureControls.svelte +72 -38
- package/dist/convex-hull/GasPressureControls.svelte.d.ts +2 -1
- package/dist/convex-hull/TemperatureSlider.svelte +46 -19
- package/dist/convex-hull/TemperatureSlider.svelte.d.ts +2 -1
- package/dist/convex-hull/demo-temperature.d.ts +6 -0
- package/dist/convex-hull/demo-temperature.js +36 -0
- package/dist/convex-hull/gas-thermodynamics.js +16 -5
- package/dist/convex-hull/helpers.d.ts +7 -1
- package/dist/convex-hull/helpers.js +45 -15
- package/dist/convex-hull/index.d.ts +15 -1
- package/dist/convex-hull/index.js +1 -0
- package/dist/convex-hull/thermodynamics.d.ts +8 -21
- package/dist/convex-hull/thermodynamics.js +106 -17
- package/dist/convex-hull/types.d.ts +7 -0
- package/dist/convex-hull/types.js +11 -0
- package/dist/coordination/CoordinationBarPlot.svelte +29 -46
- package/dist/element/BohrAtom.svelte +1 -1
- package/dist/element/data.js +2 -14
- package/dist/element/data.json.gz +0 -0
- package/dist/element/index.d.ts +1 -1
- package/dist/element/index.js +1 -0
- package/dist/element/types.d.ts +1 -0
- package/dist/fermi-surface/FermiSurface.svelte +21 -65
- package/dist/fermi-surface/FermiSurface.svelte.d.ts +1 -1
- package/dist/fermi-surface/FermiSurfaceControls.svelte.d.ts +1 -1
- package/dist/fermi-surface/FermiSurfaceScene.svelte +1 -1
- package/dist/fermi-surface/FermiSurfaceScene.svelte.d.ts +1 -1
- package/dist/fermi-surface/compute.js +1 -21
- package/dist/fermi-surface/marching-cubes.d.ts +2 -13
- package/dist/fermi-surface/marching-cubes.js +2 -519
- package/dist/fermi-surface/parse.js +17 -23
- package/dist/heatmap-matrix/HeatmapMatrix.svelte +1273 -0
- package/dist/heatmap-matrix/HeatmapMatrix.svelte.d.ts +110 -0
- package/dist/heatmap-matrix/HeatmapMatrixControls.svelte +171 -0
- package/dist/heatmap-matrix/HeatmapMatrixControls.svelte.d.ts +31 -0
- package/dist/heatmap-matrix/index.d.ts +53 -0
- package/dist/heatmap-matrix/index.js +100 -0
- package/dist/heatmap-matrix/shared.d.ts +2 -0
- package/dist/heatmap-matrix/shared.js +4 -0
- package/dist/icons.d.ts +119 -0
- package/dist/icons.js +119 -0
- package/dist/index.d.ts +6 -1
- package/dist/index.js +6 -1
- package/dist/io/export.js +15 -3
- package/dist/io/file-drop.d.ts +7 -0
- package/dist/io/file-drop.js +43 -0
- package/dist/io/index.d.ts +2 -2
- package/dist/io/index.js +2 -112
- package/dist/io/types.d.ts +1 -0
- package/dist/io/url-drop.d.ts +2 -0
- package/dist/io/url-drop.js +118 -0
- package/dist/isosurface/Isosurface.svelte +231 -0
- package/dist/isosurface/Isosurface.svelte.d.ts +8 -0
- package/dist/isosurface/IsosurfaceControls.svelte +273 -0
- package/dist/isosurface/IsosurfaceControls.svelte.d.ts +9 -0
- package/dist/isosurface/index.d.ts +5 -0
- package/dist/isosurface/index.js +6 -0
- package/dist/isosurface/parse.d.ts +6 -0
- package/dist/isosurface/parse.js +548 -0
- package/dist/isosurface/slice.d.ts +11 -0
- package/dist/isosurface/slice.js +145 -0
- package/dist/isosurface/types.d.ts +55 -0
- package/dist/isosurface/types.js +178 -0
- package/dist/labels.d.ts +2 -1
- package/dist/labels.js +1 -0
- package/dist/layout/InfoTag.svelte +62 -62
- package/dist/layout/SubpageGrid.svelte +74 -0
- package/dist/layout/SubpageGrid.svelte.d.ts +14 -0
- package/dist/layout/index.d.ts +1 -0
- package/dist/layout/index.js +1 -0
- package/dist/layout/json-tree/JsonNode.svelte +226 -53
- package/dist/layout/json-tree/JsonTree.svelte +425 -51
- package/dist/layout/json-tree/JsonTree.svelte.d.ts +1 -1
- package/dist/layout/json-tree/JsonValue.svelte +218 -97
- package/dist/layout/json-tree/types.d.ts +27 -2
- package/dist/layout/json-tree/utils.d.ts +14 -1
- package/dist/layout/json-tree/utils.js +254 -0
- package/dist/marching-cubes.d.ts +14 -0
- package/dist/marching-cubes.js +519 -0
- package/dist/math.d.ts +8 -0
- package/dist/math.js +374 -7
- package/dist/overlays/ContextMenu.svelte +3 -2
- package/dist/overlays/DraggablePane.svelte +163 -58
- package/dist/overlays/DraggablePane.svelte.d.ts +2 -0
- package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte +232 -77
- package/dist/phase-diagram/IsobaricBinaryPhaseDiagram.svelte.d.ts +6 -2
- package/dist/phase-diagram/PhaseDiagramControls.svelte +32 -11
- package/dist/phase-diagram/PhaseDiagramControls.svelte.d.ts +3 -2
- package/dist/phase-diagram/PhaseDiagramEditorPane.svelte +103 -0
- package/dist/phase-diagram/PhaseDiagramEditorPane.svelte.d.ts +15 -0
- package/dist/phase-diagram/PhaseDiagramExportPane.svelte +102 -95
- package/dist/phase-diagram/PhaseDiagramExportPane.svelte.d.ts +7 -0
- package/dist/phase-diagram/PhaseDiagramTooltip.svelte +100 -26
- package/dist/phase-diagram/PhaseDiagramTooltip.svelte.d.ts +6 -3
- package/dist/phase-diagram/index.d.ts +2 -0
- package/dist/phase-diagram/index.js +2 -0
- package/dist/phase-diagram/svg-to-diagram.d.ts +2 -0
- package/dist/phase-diagram/svg-to-diagram.js +865 -0
- package/dist/phase-diagram/types.d.ts +10 -0
- package/dist/phase-diagram/utils.d.ts +7 -4
- package/dist/phase-diagram/utils.js +149 -59
- package/dist/plot/AxisLabel.svelte +26 -0
- package/dist/plot/AxisLabel.svelte.d.ts +16 -0
- package/dist/plot/BarPlot.svelte +473 -228
- package/dist/plot/BarPlot.svelte.d.ts +3 -3
- package/dist/plot/BarPlotControls.svelte +3 -2
- package/dist/plot/BarPlotControls.svelte.d.ts +1 -1
- package/dist/plot/ColorBar.svelte +54 -54
- package/dist/plot/ColorBar.svelte.d.ts +1 -1
- package/dist/plot/ElementScatter.svelte +4 -3
- package/dist/plot/FillArea.svelte +4 -1
- package/dist/plot/Histogram.svelte +320 -230
- package/dist/plot/Histogram.svelte.d.ts +2 -2
- package/dist/plot/HistogramControls.svelte +29 -10
- package/dist/plot/HistogramControls.svelte.d.ts +6 -2
- package/dist/plot/InteractiveAxisLabel.svelte.d.ts +2 -2
- package/dist/plot/PlotControls.svelte +109 -27
- package/dist/plot/PlotControls.svelte.d.ts +1 -1
- package/dist/plot/PlotLegend.svelte +1 -1
- package/dist/plot/PortalSelect.svelte +2 -1
- package/dist/plot/ReferenceLine.svelte +2 -1
- package/dist/plot/ReferenceLine.svelte.d.ts +1 -0
- package/dist/plot/ReferencePlane.svelte +1 -3
- package/dist/plot/ScatterPlot.svelte +343 -209
- package/dist/plot/ScatterPlot.svelte.d.ts +3 -3
- package/dist/plot/ScatterPlot3D.svelte.d.ts +2 -2
- package/dist/plot/ScatterPlot3DControls.svelte +203 -250
- package/dist/plot/ScatterPlot3DScene.svelte +4 -7
- package/dist/plot/ScatterPlot3DScene.svelte.d.ts +2 -2
- package/dist/plot/ScatterPlotControls.svelte +95 -55
- package/dist/plot/ScatterPlotControls.svelte.d.ts +1 -1
- package/dist/plot/ZeroLines.svelte +44 -0
- package/dist/plot/ZeroLines.svelte.d.ts +32 -0
- package/dist/plot/ZoomRect.svelte +21 -0
- package/dist/plot/ZoomRect.svelte.d.ts +8 -0
- package/dist/plot/axis-utils.d.ts +1 -1
- package/dist/plot/data-cleaning.js +1 -5
- package/dist/plot/index.d.ts +6 -2
- package/dist/plot/index.js +6 -2
- package/dist/plot/interactions.d.ts +8 -10
- package/dist/plot/interactions.js +10 -19
- package/dist/plot/layout.d.ts +7 -1
- package/dist/plot/layout.js +12 -4
- package/dist/plot/reference-line.d.ts +4 -21
- package/dist/plot/reference-line.js +7 -81
- package/dist/plot/types.d.ts +42 -17
- package/dist/plot/types.js +10 -0
- package/dist/plot/utils/label-placement.js +14 -11
- package/dist/plot/utils.d.ts +1 -0
- package/dist/plot/utils.js +14 -0
- package/dist/rdf/RdfPlot.svelte +55 -66
- package/dist/rdf/RdfPlot.svelte.d.ts +1 -1
- package/dist/rdf/index.d.ts +1 -1
- package/dist/rdf/index.js +1 -1
- package/dist/settings.d.ts +5 -0
- package/dist/settings.js +37 -3
- package/dist/spectral/Bands.svelte +515 -143
- package/dist/spectral/Bands.svelte.d.ts +22 -2
- package/dist/spectral/helpers.d.ts +23 -1
- package/dist/spectral/helpers.js +65 -9
- package/dist/spectral/types.d.ts +2 -0
- package/dist/structure/AtomLegend.svelte +31 -10
- package/dist/structure/AtomLegend.svelte.d.ts +1 -1
- package/dist/structure/CellSelect.svelte +92 -22
- package/dist/structure/Lattice.svelte +2 -0
- package/dist/structure/Structure.svelte +716 -173
- package/dist/structure/Structure.svelte.d.ts +7 -2
- package/dist/structure/StructureControls.svelte +26 -14
- package/dist/structure/StructureControls.svelte.d.ts +5 -1
- package/dist/structure/StructureInfoPane.svelte +7 -1
- package/dist/structure/StructureScene.svelte +386 -95
- package/dist/structure/StructureScene.svelte.d.ts +15 -4
- package/dist/structure/atom-properties.d.ts +6 -2
- package/dist/structure/atom-properties.js +38 -25
- package/dist/structure/export.js +10 -7
- package/dist/structure/ferrox-wasm-types.d.ts +3 -2
- package/dist/structure/ferrox-wasm-types.js +0 -3
- package/dist/structure/ferrox-wasm.d.ts +3 -2
- package/dist/structure/ferrox-wasm.js +1 -2
- package/dist/structure/index.d.ts +7 -0
- package/dist/structure/index.js +22 -0
- package/dist/structure/parse.js +19 -16
- package/dist/structure/partial-occupancy.d.ts +25 -0
- package/dist/structure/partial-occupancy.js +102 -0
- package/dist/structure/validation.js +6 -3
- package/dist/symmetry/SymmetryStats.svelte +18 -4
- package/dist/symmetry/WyckoffTable.svelte +18 -10
- package/dist/symmetry/index.d.ts +7 -4
- package/dist/symmetry/index.js +83 -18
- package/dist/table/HeatmapTable.svelte +468 -69
- package/dist/table/HeatmapTable.svelte.d.ts +13 -1
- package/dist/table/ToggleMenu.svelte +291 -44
- package/dist/table/ToggleMenu.svelte.d.ts +4 -1
- package/dist/table/index.d.ts +3 -0
- package/dist/tooltip/index.d.ts +1 -1
- package/dist/tooltip/index.js +1 -0
- package/dist/trajectory/Trajectory.svelte +147 -145
- package/dist/trajectory/TrajectoryExportPane.svelte +13 -9
- package/dist/trajectory/TrajectoryExportPane.svelte.d.ts +1 -1
- package/dist/trajectory/constants.d.ts +6 -0
- package/dist/trajectory/constants.js +7 -0
- package/dist/trajectory/extract.js +3 -5
- package/dist/trajectory/format-detect.d.ts +9 -0
- package/dist/trajectory/format-detect.js +76 -0
- package/dist/trajectory/frame-reader.d.ts +17 -0
- package/dist/trajectory/frame-reader.js +339 -0
- package/dist/trajectory/helpers.d.ts +15 -0
- package/dist/trajectory/helpers.js +187 -0
- package/dist/trajectory/index.d.ts +1 -0
- package/dist/trajectory/index.js +11 -4
- package/dist/trajectory/parse/ase.d.ts +2 -0
- package/dist/trajectory/parse/ase.js +76 -0
- package/dist/trajectory/parse/hdf5.d.ts +2 -0
- package/dist/trajectory/parse/hdf5.js +121 -0
- package/dist/trajectory/parse/index.d.ts +12 -0
- package/dist/trajectory/parse/index.js +304 -0
- package/dist/trajectory/parse/lammps.d.ts +5 -0
- package/dist/trajectory/parse/lammps.js +169 -0
- package/dist/trajectory/parse/vasp.d.ts +2 -0
- package/dist/trajectory/parse/vasp.js +65 -0
- package/dist/trajectory/parse/xyz.d.ts +2 -0
- package/dist/trajectory/parse/xyz.js +109 -0
- package/dist/trajectory/types.d.ts +11 -0
- package/dist/trajectory/types.js +1 -0
- package/dist/utils.d.ts +2 -0
- package/dist/utils.js +4 -0
- package/dist/xrd/XrdPlot.svelte +6 -4
- package/dist/xrd/calc-xrd.js +0 -1
- package/package.json +33 -23
- package/readme.md +4 -4
- package/dist/trajectory/parse.d.ts +0 -42
- package/dist/trajectory/parse.js +0 -1267
- /package/dist/element/{data.json.d.ts → data.json.gz.d.ts} +0 -0
package/dist/settings.js
CHANGED
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@@ -283,19 +283,19 @@ export const SETTINGS_CONFIG = {
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description: `Color for force vectors`,
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},
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force_shaft_radius: {
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value: -0.
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value: -0.03,
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description: `Radius of force vector shaft (negative = relative to length, positive = absolute)`,
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minimum: -0.1,
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maximum: 0.1,
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},
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force_arrow_head_radius: {
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value: -0.
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value: -0.06,
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description: `Radius of force vector arrow head (negative = relative to length, positive = absolute)`,
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minimum: -0.2,
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maximum: 0.2,
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},
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force_arrow_head_length: {
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value: -0.
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value: -0.15,
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description: `Length of force vector arrow head (negative = relative to length, positive = absolute)`,
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minimum: -0.5,
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maximum: 0.5,
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minimum: 0,
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maximum: 1,
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},
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border_radius: {
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value: 3,
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description: `Corner radius for bar tops (px)`,
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minimum: 0,
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maximum: 10,
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},
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line: {
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width: {
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value: true,
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description: `Show X-axis grid lines`,
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show_x2_grid: {
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value: false,
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description: `Show secondary X-axis grid lines`,
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show_y_grid: {
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description: `Show Y-axis grid lines`,
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value: `.2~s`,
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description: `Number format for X-axis ticks (D3 format specifier)`,
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x2_format: {
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value: ``,
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description: `Number format for secondary X-axis ticks (D3 format specifier)`,
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},
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y_format: {
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value: `d`,
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description: `Number format for Y-axis ticks (D3 format specifier)`,
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minimum: 0,
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maximum: 1,
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hull_face_color_mode: {
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value: `uniform`,
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description: `Coloring mode for hull faces: uniform (single color), formation_energy (by E_form), dominant_element (by element), or facet_index (categorical)`,
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enum: {
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uniform: `Uniform`,
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formation_energy: `Formation energy`,
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dominant_element: `Dominant element`,
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facet_index: `Facet index`,
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},
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},
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fullscreen: {
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value: false,
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description: `Start in fullscreen for 3D convex hull`,
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minimum: 0,
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maximum: 1,
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|
+
hull_face_color_mode: {
|
|
1030
|
+
value: `dominant_element`,
|
|
1031
|
+
description: `Coloring mode for hull faces: uniform (single color), formation_energy (by E_form), dominant_element (by element), or facet_index (categorical)`,
|
|
1032
|
+
enum: {
|
|
1033
|
+
uniform: `Uniform`,
|
|
1034
|
+
formation_energy: `Formation energy`,
|
|
1035
|
+
dominant_element: `Dominant element`,
|
|
1036
|
+
facet_index: `Facet index`,
|
|
1037
|
+
},
|
|
1038
|
+
},
|
|
1005
1039
|
max_hull_dist_show_phases: {
|
|
1006
1040
|
value: 0.1,
|
|
1007
1041
|
description: `Max eV/atom above hull for showing unstable entries in 4D convex hull`,
|