ufGW/Notebooks/GW_conundrum.nb
2022-04-27 08:30:31 +02:00

8608 lines
354 KiB
Mathematica

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FrontEnd`AttachCell[Typeset`box$,
FrontEndResource["RGBColorValueSelector"], {
0, {Left, Bottom}}, {Left, Top},
"ClosingActions" -> {
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SelectionMove[Typeset`box$, All, Expression];
FrontEnd`Private`$ColorSelectorInitialAlpha = 1;
FrontEnd`Private`$ColorSelectorInitialColor =
RGBColor[1, 0, 0];
FrontEnd`Private`$ColorSelectorUseMakeBoxes = True;
MathLink`CallFrontEnd[
FrontEnd`AttachCell[Typeset`box$,
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FrontEnd`Private`$ColorSelectorInitialAlpha = 1;
FrontEnd`Private`$ColorSelectorInitialColor =
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FrontEnd`Private`$ColorSelectorUseMakeBoxes = True;
MathLink`CallFrontEnd[
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FrontEnd`Private`$ColorSelectorInitialAlpha = 1;
FrontEnd`Private`$ColorSelectorInitialColor =
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FrontEnd`Private`$ColorSelectorUseMakeBoxes = True;
MathLink`CallFrontEnd[
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0, {Left, Bottom}}, {Left, Top},
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FrontEnd`Private`$ColorSelectorInitialAlpha = 1;
FrontEnd`Private`$ColorSelectorInitialColor =
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FrontEnd`Private`$ColorSelectorUseMakeBoxes = True;
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GraphicsBox[{{
Directive[
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Directive[
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PointSize[0.5],
CapForm["Butt"],
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Directive[
EdgeForm[
Directive[
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GrayLevel[0]]],
PointSize[0.5],
CapForm["Butt"],
AbsoluteThickness[1.6],
Thickness[0.18],
RGBColor[1, 0.5, 0]], {}}}, AspectRatio -> Full,
ImageSize -> {20, 10}, PlotRangePadding -> None,
ImagePadding -> Automatic,
BaselinePosition -> (Scaled[0.1] -> Baseline)], #}, {
GraphicsBox[{{
Directive[
EdgeForm[
Directive[
Opacity[0.3],
GrayLevel[0]]],
PointSize[0.5],
CapForm["Butt"],
AbsoluteThickness[1.6],
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Directive[
EdgeForm[
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GrayLevel[0]]],
PointSize[0.5],
CapForm["Butt"],
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RGBColor[1, 0, 0]], {}}}, AspectRatio -> Full,
ImageSize -> {20, 10}, PlotRangePadding -> None,
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BaselinePosition -> (Scaled[0.1] -> Baseline)], #2}, {
GraphicsBox[{{
Directive[
EdgeForm[
Directive[
Opacity[0.3],
GrayLevel[0]]],
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EdgeForm[
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GrayLevel[0]], {}}}, AspectRatio -> Full,
ImageSize -> {20, 10}, PlotRangePadding -> None,
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BaselinePosition -> (Scaled[0.1] -> Baseline)], #4}, {
GraphicsBox[{{
Directive[
EdgeForm[
Directive[
Opacity[0.3],
GrayLevel[0]]],
PointSize[0.5],
CapForm["Butt"],
AbsoluteThickness[1.6],
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Directive[
EdgeForm[
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PointSize[0.5],
CapForm["Butt"],
AbsoluteThickness[1.6],
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GrayLevel[0.5]], {}}}, AspectRatio -> Full,
ImageSize -> {20, 10}, PlotRangePadding -> None,
ImagePadding -> Automatic,
BaselinePosition -> (Scaled[0.1] -> Baseline)], #5}},
GridBoxAlignment -> {
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AutoDelete -> False,
GridBoxDividers -> {
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GridBoxItemSize -> {"Columns" -> {{All}}, "Rows" -> {{All}}},
GridBoxSpacings -> {
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GridBoxAlignment -> {"Columns" -> {{Left}}, "Rows" -> {{Top}}},
AutoDelete -> False,
GridBoxItemSize -> {
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GridBoxSpacings -> {"Columns" -> {{1}}, "Rows" -> {{0}}}],
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RectangleBox[{1, -1}]}, {
RGBColor[1, 0.5, 0],
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FrameStyle ->
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FrameTicks -> None, PlotRangePadding -> None, ImageSize ->
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AbsoluteCurrentValue[Magnification]}]],
StyleBox[
RowBox[{"RGBColor", "[",
RowBox[{"1", ",", "0.5`", ",", "0"}], "]"}], NumberMarks ->
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ButtonFunction :> With[{Typeset`box$ = EvaluationBox[]},
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Not[
AbsoluteCurrentValue["Deployed"]],
SelectionMove[Typeset`box$, All, Expression];
FrontEnd`Private`$ColorSelectorInitialAlpha = 1;
FrontEnd`Private`$ColorSelectorInitialColor =
RGBColor[1, 0.5, 0];
FrontEnd`Private`$ColorSelectorUseMakeBoxes = True;
MathLink`CallFrontEnd[
FrontEnd`AttachCell[Typeset`box$,
FrontEndResource["RGBColorValueSelector"], {
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RectangleBox[{0, 0}]}, {
GrayLevel[0],
RectangleBox[{1, -1}]}, {
RGBColor[1, 0, 0],
RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle ->
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FrameStyle -> RGBColor[0.6666666666666666, 0., 0.],
FrameTicks -> None, PlotRangePadding -> None, ImageSize ->
Dynamic[{
Automatic, 1.35 CurrentValue["FontCapHeight"]/
AbsoluteCurrentValue[Magnification]}]],
StyleBox[
RowBox[{"RGBColor", "[",
RowBox[{"1", ",", "0", ",", "0"}], "]"}], NumberMarks ->
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BaselinePosition -> Baseline, DefaultBaseStyle -> {},
ButtonFunction :> With[{Typeset`box$ = EvaluationBox[]},
If[
Not[
AbsoluteCurrentValue["Deployed"]],
SelectionMove[Typeset`box$, All, Expression];
FrontEnd`Private`$ColorSelectorInitialAlpha = 1;
FrontEnd`Private`$ColorSelectorInitialColor =
RGBColor[1, 0, 0];
FrontEnd`Private`$ColorSelectorUseMakeBoxes = True;
MathLink`CallFrontEnd[
FrontEnd`AttachCell[Typeset`box$,
FrontEndResource["RGBColorValueSelector"], {
0, {Left, Bottom}}, {Left, Top},
"ClosingActions" -> {
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InterpretationBox[
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RectangleBox[{0, 0}]}, {
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RectangleBox[{1, -1}]}, {
RGBColor[0, 0, 1],
RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle ->
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FrameStyle -> RGBColor[0., 0., 0.6666666666666666],
FrameTicks -> None, PlotRangePadding -> None, ImageSize ->
Dynamic[{
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AbsoluteCurrentValue[Magnification]}]],
StyleBox[
RowBox[{"RGBColor", "[",
RowBox[{"0", ",", "0", ",", "1"}], "]"}], NumberMarks ->
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BaselinePosition -> Baseline, DefaultBaseStyle -> {},
ButtonFunction :> With[{Typeset`box$ = EvaluationBox[]},
If[
Not[
AbsoluteCurrentValue["Deployed"]],
SelectionMove[Typeset`box$, All, Expression];
FrontEnd`Private`$ColorSelectorInitialAlpha = 1;
FrontEnd`Private`$ColorSelectorInitialColor =
RGBColor[0, 0, 1];
FrontEnd`Private`$ColorSelectorUseMakeBoxes = True;
MathLink`CallFrontEnd[
FrontEnd`AttachCell[Typeset`box$,
FrontEndResource["RGBColorValueSelector"], {
0, {Left, Bottom}}, {Left, Top},
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RowBox[{"AbsoluteThickness", "[", "1.6`", "]"}], ",",
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RectangleBox[{0, 0}]}, {
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RectangleBox[{1, -1}]}, {
GrayLevel[0],
RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle ->
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FrameStyle -> GrayLevel[0.], FrameTicks -> None,
PlotRangePadding -> None, ImageSize ->
Dynamic[{
Automatic, 1.35 CurrentValue["FontCapHeight"]/
AbsoluteCurrentValue[Magnification]}]],
StyleBox[
RowBox[{"GrayLevel", "[", "0", "]"}], NumberMarks ->
False]], Appearance -> None, BaseStyle -> {},
BaselinePosition -> Baseline, DefaultBaseStyle -> {},
ButtonFunction :> With[{Typeset`box$ = EvaluationBox[]},
If[
Not[
AbsoluteCurrentValue["Deployed"]],
SelectionMove[Typeset`box$, All, Expression];
FrontEnd`Private`$ColorSelectorInitialAlpha = 1;
FrontEnd`Private`$ColorSelectorInitialColor =
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FrontEnd`Private`$ColorSelectorUseMakeBoxes = True;
MathLink`CallFrontEnd[
FrontEnd`AttachCell[Typeset`box$,
FrontEndResource["GrayLevelColorValueSelector"], {
0, {Left, Bottom}}, {Left, Top},
"ClosingActions" -> {
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InterpretationBox[
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TooltipBox[
GraphicsBox[{{
GrayLevel[0],
RectangleBox[{0, 0}]}, {
GrayLevel[0],
RectangleBox[{1, -1}]}, {
GrayLevel[0.5],
RectangleBox[{0, -1}, {2, 1}]}}, DefaultBaseStyle ->
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FrameStyle -> GrayLevel[0.33333333333333337`], FrameTicks ->
None, PlotRangePadding -> None, ImageSize ->
Dynamic[{
Automatic, 1.35 CurrentValue["FontCapHeight"]/
AbsoluteCurrentValue[Magnification]}]],
StyleBox[
RowBox[{"GrayLevel", "[", "0.5`", "]"}], NumberMarks ->
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BaselinePosition -> Baseline, DefaultBaseStyle -> {},
ButtonFunction :> With[{Typeset`box$ = EvaluationBox[]},
If[
Not[
AbsoluteCurrentValue["Deployed"]],
SelectionMove[Typeset`box$, All, Expression];
FrontEnd`Private`$ColorSelectorInitialAlpha = 1;
FrontEnd`Private`$ColorSelectorInitialColor =
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FrontEnd`Private`$ColorSelectorUseMakeBoxes = True;
MathLink`CallFrontEnd[
FrontEnd`AttachCell[Typeset`box$,
FrontEndResource["GrayLevelColorValueSelector"], {
0, {Left, Bottom}}, {Left, Top},
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Axes->{False, False},
AxesLabel->{None, None},
AxesOrigin->{1.1, -199.},
BaseStyle->18,
DisplayFunction->Identity,
Frame->{{True, True}, {True, True}},
FrameLabel->{{
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StyleBox[
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FormBox[
StyleBox[
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FrameTicks->{{Automatic, Automatic}, {Automatic, Automatic}},
GridLines->{Automatic, Automatic},
GridLinesStyle->Directive[
GrayLevel[0.5, 0.4]],
ImageSize->500,
LabelStyle->{FontFamily -> "Times"},
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Identity[
Part[#, 1]],
Identity[
Part[#, 2]]}& ), "CopiedValueFunction" -> ({
Identity[
Part[#, 1]],
Identity[
Part[#, 2]]}& )}},
PlotRange->{{1.1, 1.65}, {-199.125, -199}},
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PlotRangePadding->{{0, 0}, {0, 0}},
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Hue[0.67, 0.6, 0.6],
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Style[
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Style[
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FrameTicks -> {{Automatic, Automatic}, {Automatic, Automatic}},
GridLines -> {Automatic, Automatic}, GridLinesStyle -> Directive[
GrayLevel[0.5, 0.4]], ImageSize -> 500,
LabelStyle -> {FontFamily -> "Times"},
Method -> {
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"CoordinatesToolOptions" -> {"DisplayFunction" -> ({
Identity[
Part[#, 1]],
Identity[
Part[#, 2]]}& ), "CopiedValueFunction" -> ({
Identity[
Part[#, 1]],
Identity[
Part[#, 2]]}& )}}, PlotRange -> {{1.1, 1.65}, {-199.125, -199}},
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PointLegend[{
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RGBColor[1, 0.5, 0]],
Directive[
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AbsoluteThickness[1.6],
Thickness[0.01],
RGBColor[1, 0, 0]],
Directive[
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RGBColor[0, 0, 1]],
Directive[
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Directive[
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Style[
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LegendMarkers -> {{False, Automatic}, {False, Automatic}, {
False, Automatic}, {False, Automatic}, {False, Automatic}},
Joined -> {True, True, True, True, True},
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