for hds-lee-thesis-proposal 2023-07-01, phd-project flowchart, simplified for general audience

fig/logos/logos.tex

-% logo definitions
-% for editing in KTikZ with fig/ktikz template, tmp-change paths to {logos/...}.
-% for that, comment the production code, and uncomment the ktikz path-adapted
-% code.
-% when done with ktikz, switch back.
+% % logo definitions
+% % for editing TikZ figures (eg via fig/tikz-tmp.tex or with KTikZ) with fig/ktikz template, tmp-change paths to {logos/...}.
+% % for that, comment the production code, and uncomment the ktikz path-adapted
+% % code.
+% % when done with ktikz, switch back.
 
 % %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 % production code
@@ -97,14 +97,24 @@
   \includegraphics[height=2.0\fontcharht\font`\B]{../resources/fig/logos/juDFT/juKKR/logo-kkrimp-circled.png}%
   \endgroup
 }
+\newcommand{\logoSpirit}{%
+  \begingroup\normalfont
+  \includegraphics[height=1.0\fontcharht\font`\B]{../resources/logos/juDFT/Spirit/logo-spirit-cropped.png}
+  \endgroup
+}
 \newcommand{\logoSpiritCircled}{%
   \begingroup\normalfont
-  \includegraphics[height=1.0\fontcharht\font`\B]{../resources/fig/logos/juDFT/juKKR/logo-spirit-circled.png}%
+  \includegraphics[height=1.0\fontcharht\font`\B]{../resources/fig/logos/juDFT/Spirit/logo-spirit-circled.png}%
   \endgroup
 }
 \newcommand{\logoSpiritCircledXTwo}{%
   \begingroup\normalfont
-  \includegraphics[height=2.0\fontcharht\font`\B]{../resources/fig/logos/juDFT/juKKR/logo-spirit-circled.png}%
+  \includegraphics[height=2.0\fontcharht\font`\B]{../resources/fig/logos/juDFT/Spirit/logo-spirit-circled.png}%
+  \endgroup
+}
+\newcommand{\logoSpiritWithText}{%
+  \begingroup\normalfont
+  \includegraphics[height=2.0\fontcharht\font`\B]{../resources/fig/logos/juDFT/Spirit/spirit-original-with-text.png}
   \endgroup
 }
 \newcommand{\logoFABrainSolidBlack}{%
@@ -226,14 +236,24 @@
 %   \includegraphics[height=2.0\fontcharht\font`\B]{logos/juDFT/juKKR/logo-kkrimp-circled.png}
 %   \endgroup
 % }
+% \newcommand{\logoSpirit}{%
+%   \begingroup\normalfont
+%   \includegraphics[height=2.0\fontcharht\font`\B]{logos/juDFT/Spirit/logo-spirit-cropped.png}
+%   \endgroup
+% }
 % \newcommand{\logoSpiritCircled}{%
 %   \begingroup\normalfont
-%   \includegraphics[height=1.0\fontcharht\font`\B]{logos/juDFT/juKKR/logo-spirit-circled.png}
+%   \includegraphics[height=1.0\fontcharht\font`\B]{logos/juDFT/Spirit/logo-spirit-circled.png}
 %   \endgroup
 % }
 % \newcommand{\logoSpiritCircledXTwo}{%
 %   \begingroup\normalfont
-%   \includegraphics[height=2.0\fontcharht\font`\B]{logos/juDFT/juKKR/logo-spirit-circled.png}
+%   \includegraphics[height=2.0\fontcharht\font`\B]{logos/juDFT/Spirit/logo-spirit-circled.png}
+%   \endgroup
+% }
+% \newcommand{\logoSpiritWithText}{%
+%   \begingroup\normalfont
+%   \includegraphics[height=2.0\fontcharht\font`\B]{logos/juDFT/Spirit/spirit-original-with-text.png}
 %   \endgroup
 % }
 % \newcommand{\logoFABrainSolidBlack}{%

fig/report-2023-07-01/atomistic-ml/classification-of-atomistic-ml_2023-07-01_ktikz.tikz

+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% Notes:
+% This tikz file is meant for KtikZ output.
+% 1) In KtikZ, set template path: /home/johannes/pgi/thesis/master-thesis/doc/src/fig/ktikz_template.tpl
+% 2) Export to pdf.
+% 3) In document, insert with \includegraphics[width=1.0\textwidth]{../fig/mypath/mytikzpic.pdf}
+%
+% This simplifies scaling issues.
+%
+% For poster A0, encountered incorrect scaling.
+% Tried resolution by replacing all units with unitless (=pt, apparently).
+% Conversion table:
+% - 1 pt -> 1 (pt)
+% - 1 cm -> 28.45274 (pt)
+% - 1 em -> 10.00002 (pt)
+% - Exceptions:
+%   - 1 em -> 0.35 IF EITHER node coord (0,2em) OR node rel. positioning (['right=2em of] --> (0,.7), ...[right=0.7 of])
+%   - x\textwidth -> 100*x pt
+%
+% Unit conversion did not resolve scaling issue. Instead, exported to pdf and included that as a graphic.
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\tikzstyle{v}=[node distance=48.79223]
+\tikzstyle{h}=[node distance=113.811]
+\usetikzlibrary{positioning,shapes,arrows}
+\usetikzlibrary{arrows.meta}
+\pgfdeclarelayer{higher}
+\pgfdeclarelayer{highest}
+\pgfsetlayers{main,higher,highest}
+\pgfkeys{%
+    /tikz/every node/.style={%
+        transform shape,
+        %font=\ttfamily\normalsize,
+        text=helmholtzdarkblue,
+        minimum width=1.5em,
+        align=center,
+        text width=99.58459,
+        inner sep=0.5em,
+        %minimum height=28.45274
+        minimum height=3em
+    },
+    /box/node color/.style={%
+        % draw = node outline color
+        % comment out draw: no outline
+        % draw=fzjblue,%#1!80!black,
+        %
+        % fill color:
+        % without overhead lighting overlay effect
+        top color=#1,
+        bottom color=#1,
+       % % with overhead lighting overlay effect
+       %  top color=#1!80!white,
+       %  bottom color=#1!80!black,
+       %
+       rounded corners=0.4em,
+    },
+    /box/active/.style={%
+        rectangle,
+        /box/node color=helmholtzhighlight,
+    },
+    /box/passive/.style={%
+        rectangle,
+        /box/node color=fzjgray20,
+        text=fzjblack!40!fzjgray20,
+        dashed
+    },
+    /box/ml/.style={%
+        rectangle,
+        /box/node color=helmholtzhighlight,
+    },
+    /box/ml2/.style={%
+        rectangle,
+        /box/node color=helmholtzhighlight,
+    },
+    /box/invisible/.style={%
+        rectangle,
+        draw=fzjwhite,%#1!80!black,
+        top color=fzjwhite,
+        bottom color=fzjwhite,
+		    text=fzjwhite
+    },
+    /arr/active/.style={%
+        -{Triangle[scale=0.07em]},
+        line width=2,
+		    color=helmholtzlightblue,
+    },
+    /arr/ml/.style={%
+        -{Triangle[scale=0.07em]},
+        line width=2,
+		    color=mint,
+    },
+    /arr/ml2/.style={%
+        -{Triangle[scale=0.07em]},
+        line width=2,
+		    color=mint,
+    },
+    /arr/mlUnderpassOut/.style={% underpass (no arrow, shortened)
+		-{|[scale=0.05em]},
+        line width=2,
+		    color=mint,
+	    shorten >=0.3em
+    },
+    /arr/mlUnderpassIn/.style={%
+		{|[scale=0.05em]}-{Triangle[scale=0.07em]},
+        line width=2,
+		    color=mint,
+		shorten <=0.3em
+    },
+    /arr/passive/.style={%
+        -latex,
+        line width=2,
+		    dashed
+    },
+    /arr/line/.style={%
+        -,
+        line width=2,
+		    color=mint,
+    },
+%     /class/main1/.style={%
+%         rectangle,
+%         /box/node color=fzjgreen,
+%     },
+%     /class/main2/.style={%
+%         rectangle split,
+% 		rectangle split parts=2,
+% 		text width=140,
+%         /box/node color=fzjgreen,
+%     },
+%     /class/other1/.style={%
+%         rectangle,
+%         /box/node color=white!40!fzjgreen,
+%     },
+%     /class/other2/.style={%
+%         rectangle split,
+% 		rectangle split parts=2,
+%         /box/node color=white!40!fzjgreen,
+%     },
+%     /class/template/.style={%
+%         rectangle,
+% 		minimum width=17.072,
+% 		minimum height=17.072,
+%         text width=14.226,
+%         /box/node color=white!40!fzjgreen,
+% 		dashed
+%     },
+%     /class/cube/.style={%
+%         rectangle,
+%         /box/node color=fzjlightblue,
+%     },
+%     /class/uses/.style={%
+%         -angle=60,
+%         line width=2,
+% 		dashed
+%     },
+%     /class/has/.style={%
+%         -angle=60,
+%         line width=2,
+%     },
+%     /class/isA/.style={%
+%         -latex,
+%         line width=3,
+%     },
+%     /class/composition/.style={%
+%         -diamond,
+%         line width=2,
+%     },
+%     /class/multiarrow/.style={%
+%         /class/arrow,
+%         double copy shadow={shadow xshift=2.845,shadow yshift=-5.691,/class/arrow},
+%     },
+}
+
+
+\begin{tikzpicture}[
+    scale=0.75, transform shape, %font=\ttfamily,
+    uses/.style={-{angle 60},line width=2,dashed},
+%     auto
+    ]
+
+
+
+
+	% primary surrogate, target is potential (KKR)
+% \draw node[/box/active,v] (atoms) {Atomic Features\\\( A = \{ \vec{r}_i, a_i, \vec{G}, \vec{S}_i, \dots \}\)};
+\draw node[/box/active,v] (atoms) {Atomic Structure\\\( A = \{ \vec{\bm{R}}, \bm{Z}, \vec{\bm{M}}, \dots \}\)};
+	% \draw node[/box/active,v] (dft) [right=.7 of atoms] {\textit{Ab initio} method\\\textbf{KKR-GF} \faGears};
+    % \draw node[/box/active,v] (dft) [right=.7 of atoms] {\textbf{Simulator}\\\logoAiida -- KKRimp\,\logoKKRimpCircledXTwo};
+	% \draw node[/box/active,v] (dft) [right=.7 of atoms] {{\footnotesize \textbf{Electronic Structure\\Simulator}}\\\logoJuDFT Codes};
+  \draw node[/box/active,v] (dft) [right=.7 of atoms] {{\normalsize \textbf{Electronic Structure\\Simulator}}\quad\logoJuDFT};
+	\draw node[/box/active,v] (primary) [right=.7 of dft] {Primary Output\\  \(n(\vec{r})\), \(V(\vec{r})\)};
+	\draw node[/box/active,v] (secondary) [right=.7 of primary] {Secondary Output\\ \(E_{tot}\), DOS, \(J_{ij}\)'s, \(\dots\)};
+% E_tot ausgelassen; E(k) = bandstructure, D(E) = DOS
+	\draw node[/box/active,v] (tertiary) [right=.7 of secondary] {Tertiary Output\\  \(T_c\), \(\vec{S}_i\)'s, \(\dots\)};
+% sigma = elastic moduli, delta G_f^0 = formation energy, topological invariant ausgelassen, T_c supercond crit temp
+	\draw[/arr/active] (atoms) -- (dft);
+	\draw[/arr/active] (dft) -- (primary);
+	\draw[/arr/active] (primary) -- (secondary);
+	\draw[/arr/active] (secondary) -- (tertiary);
+    %
+	\draw node[/box/ml,v] (representation) [below=.7 of atoms] {Representation\\\(\ket{A;\lambda\mu}\)};
+
+% note: we draw surrogate-2 & env first cause need arrow rep-surr-2 to lie below surr-1
+
+% surrogate-2 (secondary)
+% \draw node[/box/ml2,v] (surrogate-2) [below=.7 of secondary] {{\small \textbf{Exchange Interaction\\Emulator}}\quad\logoNeuralNetworkSolidCircledHelmholtzdarkblueBgWhite};
+	\draw node[/box/ml2,v] (surrogate-2) [below=.7 of secondary] {{\small \textbf{Magnetic Interaction\\Emulator}}\quad\logoNeuralNetworkSolidCircledHelmholtzdarkblueBgWhite};
+	\draw node[/box/active,v] (spirit) [below=.7 of tertiary] {{\normalsize \textbf{Magnetic Structure\\Simulator}} \logoSpiritWithText};
+	 \begin{scope}[transform canvas={yshift=-7}]
+		\draw[/arr/ml2] (surrogate-2) -- (spirit);
+	 \end{scope}
+
+% surrogate-1 (primary)
+   % \draw node[/box/ml,v] (surrogate-1) [below=.7 of primary] {{\footnotesize \textbf{Electronic structure\\emulator}}\\{\scriptsize \textit{Charge density, potential}} \logoNeuralNetworkSolidCircledHelmholtzdarkblueBgWhite};
+   \draw node[/box/ml,v] (surrogate-1) [below=.7 of primary] {{\normalsize \textbf{Electronic Structure\\Emulator}}\quad\logoNeuralNetworkSolidCircledHelmholtzdarkblueBgWhite};
+	\draw[/arr/ml] (atoms) -- (representation);
+	% \draw[/arr/active] (atoms) |- (surrogate);
+	 \begin{scope}[transform canvas={yshift=-7}]
+		% shift arrow st surrogate input arrows not overlaid
+		% \draw[/arr/ml2] (representation) -- (surrogate-2) node[midway,right=-4.4,yshift=-6.0] {\textit{\textcolor{mint}{invariant}}};
+		% \draw[/arr/mlUnderpassOut] (representation) -- (surrogate-1) node[midway,right=-2.1,yshift=-6.0] {\textit{\textcolor{mint}{invariant}}};
+		\draw[/arr/mlUnderpassIn] (surrogate-1) -- (surrogate-2);
+	 \end{scope}
+	 \begin{scope}[transform canvas={yshift=7}]
+		% shift arrow st surrogate input arrows not overlaid
+		\draw[/arr/ml] (representation) -- (surrogate-1) node[midway,right=-2.1,yshift=-13.5] {\textit{\textcolor{mint}{equivariant\\mapping}}};
+	 \end{scope}
+	% \draw[/arr/active] (dft) -- (surrogate-1) node[midway,right=-2.3,yshift=19,rotate=-22.5] {\textit{train}};
+	 \begin{scope}[transform canvas={xshift=-18}]
+	  	\draw[/arr/active] (primary) -- (surrogate-1) node[midway,right=-2.5,yshift=0,rotate=0] {\textit{\textcolor{helmholtzlightblue}{train}}};
+	 \end{scope}
+	\draw[/arr/mlUnderpassOut] [color=mint] (surrogate-1)  -- (primary);
+    %
+  % \node[above=.7 of dft, minimum height=0] (dummypreserveheight) {}; % for arrow above in 6-kkr
+  \draw[/arr/mlUnderpassIn] (primary.north) -- ++(0,.7) -| (dft) node[midway,right=0.3,yshift=-10] {\textit{\textcolor{mint}{\logoAiida feedback}}};
+  \draw[/arr/mlUnderpassIn] (secondary.north) -- ++(0,.7) -| (dft) node[midway,right=0.3,yshift=-10] {};
+%
+%\draw[/arr/active] (primary) -- (surrogate-2) node[midway,right=-2.3,yshift=19,rotate=-22.5] {\textit{train}};
+ \begin{scope}[transform canvas={xshift=-0}]
+	\draw[/arr/active] (secondary) -- (surrogate-2) node[midway,right=-2.5,yshift=0,rotate=0] {\textit{\textcolor{helmholtzlightblue}{train}}};
+ \end{scope}
+
+
+% % poster block text - Block - The Idea
+% % for now, not inserted here put directly in document via textblock env.
+% \node[text width=4cm] at (13,-2) {};
+
+\end{tikzpicture}
\ No newline at end of file

fig/tikz-preamble.tex

+\documentclass[
+%%%%%%%%%% Start of customizable section %%%%%%%%%%
+english,
+ngerman,
+10pt,%             supported values: 10pt, 11pt, 12pt
+aspectratio=169,%  common values: 169, 1610, 43
+%%%%%%%%%% End of customizable section %%%%%%%%%%
+]{beamer}
+\usetheme{Juelich}
+% \usetheme{HDSLEEPoster} % could not get it to work
+
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% NOTE:
+%
+% Sections
+% beamertheme-juelich/beamercolorthemeJuelich.sty
+% and
+% beamercolorthemeHDSLEEPoster.sty
+% below MAY clash (color1 - color7, and in \setbeamercolor).
+%
+% If that is a problem, for work in ktikz, comment out
+% whichever definitions you don't need.
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+
+
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% from beamertheme-juelich/beamercolorthemeJuelich.sty START
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+
+\definecolor{fzjblue}{RGB}{2,61,107} % first color
+\colorlet{color1}{fzjblue}
+
+\definecolor{fzjlightblue}{RGB}{173,189,227} % second color
+\colorlet{color2}{fzjlightblue}
+
+\definecolor{fzjgray}{RGB}{235,235,235} % third color
+\colorlet{fzjgrey}{fzjgray}
+\colorlet{color3}{fzjgray}
+
+\definecolor{fzjred}{RGB}{235, 95, 115}  % FZJ raspberry red
+\colorlet{color4}{fzjred}
+
+\definecolor{fzjgreen}{RGB}{185, 210, 95}  % FZJ grass green
+\colorlet{color5}{fzjgreen}
+
+\definecolor{fzjyellow}{RGB}{250, 235, 90}  % FZJ citrus yellow
+\colorlet{color6}{fzjyellow}
+
+\definecolor{fzjviolet}{RGB}{175, 130, 185}  % FZJ Hyacinth violet
+\colorlet{color7}{fzjviolet}
+
+\definecolor{fzjorange}{RGB}{250, 180, 90}  % FZJ apricot orange
+\colorlet{color8}{fzjorange}
+
+\definecolor{fzjblack}{RGB}{0,0,0}
+\definecolor{fzjwhite}{RGB}{255,255,255}
+
+% \pgfkeys{/beamerfzj/color/compat mode/.cd,
+%   .is choice,
+%   .default=disabled,
+%   disabled/.code={},
+%   enabled/.code={
+    \definecolor{fzjblue50}{RGB}{0,91,130}
+    \definecolor{fzjblue35}{RGB}{166,198,211}
+    \definecolor{fzjblue30}{RGB}{178,206,217}
+    \definecolor{fzjblue20}{RGB}{204,222,236}
+    \definecolor{fzjblue10}{RGB}{229,239,242}
+    \definecolor{fzjgray80}{RGB}{81,81,81}
+    \definecolor{fzjgray50}{RGB}{156,156,156}
+    \definecolor{fzjgray30}{RGB}{185,185,185}
+    \definecolor{fzjgray20}{RGB}{204,204,204}
+    \definecolor{fzjgray10}{RGB}{229,229,229}
+    \definecolor{fzjgray05}{RGB}{242,242,242}
+    \definecolor{fzjbranchred}{RGB}{212,45,18}
+    \definecolor{fzjbranchyellow}{RGB}{230,175,17}
+    \definecolor{fzjbranchblue}{RGB}{6,194,255}
+    \definecolor{fzjlightred}{RGB}{198,141,132}
+    \definecolor{fzjlightgreen}{RGB}{164,181,153}
+    \definecolor{fzjlightyellow}{RGB}{235,212,167}
+%   }
+% }
+
+\pgfkeys{/beamerfzj/color/compat mode/disabled}
+
+% slide colors
+\setbeamercolor{note page}{bg=white, fg=black}
+\setbeamercolor{note title}{bg=fzjlightblue!50!white, fg=black}
+\setbeamercolor{note date}{fg=fzjblue}
+
+% beamer color definitions
+\setbeamercolor{structure}{fg=fzjblue,bg=}
+\setbeamercolor{palette primary}{use=structure,fg=fzjblue,bg=}
+
+\setbeamercolor{title}{fg=white,bg=}
+\setbeamercolor{subtitle}{fg=fzjlightblue,bg=}
+
+\setbeamercolor{header}{fg=fzjblue,bg=}
+\setbeamercolor{navigation symbols}{fg=fzjgray,bg=}
+
+\setbeamercolor{frametitle}{fg=fzjblue,bg=}
+\setbeamercolor{framesubtitle}{fg=fzjblue,bg=}
+
+\setbeamercolor{footline}{fg=fzjblue, bg=}
+
+\setbeamercolor{inverse}{fg=fzjwhite,bg=fzjblue}
+
+\setbeamercolor{normal text}{fg=black,bg=white}
+\setbeamercolor{date in head/foot}{fg=structure}
+
+\setbeamercolor{alerted text}{fg=fzjred}
+\setbeamercolor{example text}{fg=fzjlightblue}
+\setbeamercolor{emphasized text}{fg=fzjblue}
+
+\setbeamercolor{part name}{fg=white}
+\setbeamercolor{part title}{fg=white}
+
+% Block stuff
+\setbeamercolor{block title}{use=structure,fg=white,bg=structure.fg}
+\setbeamercolor{block title alerted}{use=alerted text,fg=white,bg=alerted text.fg}
+\setbeamercolor{block title example}{use=example text,fg=white,bg=example text.fg}
+
+\setbeamercolor{block body}{parent=normal text,use=block title,bg=fzjgray}
+\setbeamercolor{block body alerted}{parent=normal text,use=block title alerted,bg=fzjgray}
+\setbeamercolor{block body example}{parent=normal text,use=block title
+  example,bg=fzjgray}
+
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% from beamertheme-juelich/beamercolorthemeJuelich.sty FINISH
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% from hds-lee-poster-template/latex/beamercolorthemeHDSLEEPoster.sty START
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+
+\definecolor{helmholtzdarkblue}{RGB}{0,40,100} % primary colour `Helmholtz dark blue`
+\colorlet{color1}{helmholtzdarkblue}
+
+\definecolor{helmholtzlightblue}{RGB}{20,200,255} % secondary colour `Helmholtz light blue`
+\colorlet{color2}{helmholtzlightblue}
+
+\definecolor{helmholtzhighlight}{RGB}{205,238,251} % highlight color `Helmholtz highlight-blue`
+\colorlet{helmholtzhighlightblue}{helmholtzhighlight}
+\colorlet{color3}{helmholtzhighlight}
+
+\definecolor{helmholtzpaleblue}{RGB}{236,251,253} % background color `Helmholtz web pale-blue`
+\colorlet{color4}{helmholtzhighlight}
+
+\definecolor{logoblue}{RGB}{0,90,160}  % Helmholtz logo blue
+\colorlet{helmholtzlogoblue}{logoblue}
+\colorlet{color5}{logoblue}
+
+\definecolor{mint}{RGB}{5,229,186}  % Helmholtz mint
+\colorlet{helmholtzmint}{mint}
+\colorlet{color6}{mint}
+
+\definecolor{claim}{RGB}{0,128,64}  % Helmholtz claim green
+\colorlet{helmholtzclaim}{claim}
+\colorlet{color7}{claim}
+
+\definecolor{helmholtzwhite}{RGB}{255,255,255} % same as RGB white
+
+\pgfkeys{/beamerHDSLEE/color/compat mode/.cd,
+  .is choice,
+  .default=disabled,
+  disabled/.code={},
+  enabled/.code={
+    \definecolor{darkblue50}{RGB}{128,148,178}
+    \definecolor{darkblue35}{RGB}{166,180,201}
+    \definecolor{darkblue30}{RGB}{179,191,209}
+    \definecolor{darkblue20}{RGB}{204,212,224}
+    \definecolor{darkblue10}{RGB}{230,234,240}
+    \definecolor{highlight80}{RGB}{215,241,252}
+    \definecolor{highlight50}{RGB}{230,247,253}
+    \definecolor{highlight30}{RGB}{240,250,254}
+    \definecolor{highlight20}{RGB}{245,252,254}
+    \definecolor{highlight10}{RGB}{250,253,255}
+    \definecolor{highlight05}{RGB}{242,242,242}
+  }
+}
+
+\pgfkeys{/beamerHDSLEE/color/compat mode/enabled}
+
+% slide colors
+\setbeamercolor{note page}{bg=white, fg=black}
+\setbeamercolor{note title}{bg=helmholtzlightblue!50!white, fg=black}
+\setbeamercolor{note date}{fg=helmholtzdarkblue}
+
+% beamer color definitions
+\setbeamercolor{structure}{fg=helmholtzlightblue,bg=helmholtzdarkblue}
+\setbeamercolor{palette primary}{use=structure,fg=helmholtzdarkblue,bg=white}
+
+\setbeamercolor{title}{fg=white,bg=}
+\setbeamercolor{author}{fg=helmholtzlightblue,bg=}
+
+\setbeamercolor{header}{fg=helmholtzdarkblue,bg=}
+\setbeamercolor{navigation symbols}{fg=helmholtzhighlight,bg=}
+
+\setbeamercolor{frametitle}{fg=helmholtzdarkblue,bg=}
+\setbeamercolor{framesubtitle}{fg=helmholtzdarkblue,bg=}
+% \setbeamercolor{framesubtitle}{fg=helmholtzlightblue,bg=}
+
+\setbeamercolor{footline}{fg=helmholtzdarkblue, bg=}
+
+\setbeamercolor{inverse}{fg=helmholtzwhite,bg=helmholtzdarkblue}
+
+% \setbeamercolor{normal text}{fg=black,bg=white}
+\setbeamercolor{normal text}{fg=helmholtzdarkblue,bg=white}
+\setbeamercolor{item}{fg=white,fg=helmholtzlightblue}
+\setbeamercolor{date in head/foot}{fg=structure}
+
+\setbeamercolor{block text}{fg=helmholtzdarkblue,bg=white}
+\setbeamercolor{alerted text}{fg=helmholtzdarkblue,bg=helmholtzhighlight}
+\setbeamercolor{example text}{fg=helmholtzdarkblue,bg=white}
+\setbeamercolor{emphasized text}{fg=helmholtzdarkblue}
+
+\setbeamercolor{part name}{fg=white}
+\setbeamercolor{part title}{fg=white}
+
+% Block stuff
+\setbeamercolor{block title}{use=block text,fg=block text.fg,bg=block text.bg}
+\setbeamercolor{block title alerted}{use=alerted text,fg=alerted text.fg,bg=alerted text.bg}
+\setbeamercolor{block title example}{use=example text,fg=example text.fg,bg=example text.bg}
+
+\setbeamercolor{block body}{parent=normal text,use=block title,bg=white}
+\setbeamercolor{block body alerted}{parent=alerted text,use=block title alerted,bg=alerted text.bg}
+\setbeamercolor{block body example}{parent=normal text,use=block title example,bg=example text.bg}
+
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% from hds-lee-poster-template/latex/beamercolorthemeHDSLEEPoster.sty FINISH
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+
+
+% ktikz template example content, from ???
+
+% \documentclass{article}
+% \usepackage{mathptmx}
+\usepackage{tikz}
+\usepackage{color}
+% \DeclareSymbolFont{symbolsb}{OMS}{cmsy}{m}{n}
+% \SetSymbolFont{symbolsb}{bold}{OMS}{cmsy}{b}{n}
+% \DeclareSymbolFontAlphabet{\mathcal}{symbolsb}
+\usepackage[active,pdftex,tightpage]{preview}
+\PreviewEnvironment[]{tikzpicture}
+\PreviewEnvironment[]{pgfpicture}
+
+\usepackage{bm}
+\usepackage{fontawesome} % loads fancy web symbols
+\usepackage{physics}            % instead of braket due to cosmo/dirac-rep.tex
+
+% % github cosmo-epfl feature notation % here: BEFORE glossary
+% % NOTE: \rep and \field doesn't work for me. It compiles but is wrong. In
+% % Overleaf, it works. Dunno why.
+% \input{../cosmo/maths}
+% \input{../cosmo/dirac-rep}           % ceriotti structural representations dirac notation
+% \input{../cosmo/ml-models}
+
+% copy-paste ref to logo definition from user_macros.tex
+% \input{logos/logos.tex}
+% \newcommand{\logoAiida}{%
+%   \begingroup\normalfont
+%   \includegraphics[height=1.0\fontcharht\font`\B]{../resources/fig/logos/aiida/aiida.png}%
+%   \endgroup
+% }

fig/tikz-tmp.tex

+% Use this file to create, compile and edit TikZ figures
+\newcommand{\pathtotikzfig}{report-2023-07-01/atomistic-ml/classification-of-atomistic-ml_2023-07-01_ktikz.tikz}
+\input{tikz-preamble.tex}
+% while editing the tikz figure, go to logos and switch the paths as described
+% there. for insertion into document, switch them back.
+\input{logos/logos.tex}
+\begin{document}
+\input{\pathtotikzfig}
+\end{document}