diff --git a/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.pdf b/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.pdf
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diff --git a/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.tikz b/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.tikz
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+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% 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.
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\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
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+ /box/ml/.style={%
+ rectangle,
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+ /box/ml2/.style={%
+ rectangle,
+ /box/node color=helmholtzhighlight,
+ },
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+ rectangle,
+ draw=fzjwhite,%#1!80!black,
+ top color=fzjwhite,
+ bottom color=fzjwhite,
+ text=fzjwhite
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+ /arr/active/.style={%
+ -latex,
+ line width=2,
+ color=helmholtzlightblue,
+ },
+ /arr/ml/.style={%
+ -latex,
+ line width=2,
+ color=mint,
+ },
+ /arr/ml2/.style={%
+ -latex,
+ line width=2,
+ color=mint,
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+ -latex,
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+ /arr/line/.style={%
+ -,
+ line width=2,
+ color=mint,
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+% /class/main2/.style={%
+% rectangle split,
+% rectangle split parts=2,
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+% /box/node color=fzjgreen,
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+% /class/other1/.style={%
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+% },
+% /class/other2/.style={%
+% rectangle split,
+% rectangle split parts=2,
+% /box/node color=white!40!fzjgreen,
+% },
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+% /box/node color=white!40!fzjgreen,
+% dashed
+% },
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+}
+
+\tikzstyle{v}=[node distance=48.79223]
+\tikzstyle{h}=[node distance=113.811]
+\usetikzlibrary{positioning,shapes,arrows}
+\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] (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{First-Principles Simulator}}\\KKRimp\,\logoKKRimpCircledXTwo};
+ \draw node[/box/active,v] (primary) [right=.7 of dft] {Primary Output\\ \(V(\vec{r})\), \(n(\vec{r})\)};
+ \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] {\textbf{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] {Secondary Emulator\\ \(J_{ij}\)'s \logoNeuralNetworkSolidCircledHelmholtzdarkblueBgWhite};
+ % \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}}};
+ \end{scope}
+ \draw node[/box/active,v] (spirit) [below=.7 of tertiary] {Mesoscale simulator\\\logoAiida\hspace{-0.3em}-Spirit\,\logoSpiritCircledXTwo};
+ \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] {\textbf{Primary Emulator} \(\tilde{V}(\vec{r})\), \(\tilde{n}(\vec{r})\) \logoNeuralNetworkSolidCircledHelmholtzdarkblueBgWhite};
+ \draw[/arr/ml] (atoms) -- (representation);
+ \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=-7.5] {\textit{\textcolor{mint}{equivariant}}};
+ \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/line] [color=mint] (surrogate-1) -- (primary);
+ %
+ \node[above=.7 of dft, minimum height=0] (dummypreserveheight) {}; % for arrow above in 6-kkr
+ \draw[/arr/ml] (primary.north) -- ++(0,.7) -| (dft) node[midway,right=-0.0,yshift=-10] {\textit{\textcolor{mint}{\logoAiida feedback}}};
+%
+%\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
diff --git a/fig/poster_2022-08-22/atomistic-ml/classification-of-atomistic-ml_poster_2022-08-22_ktikz.tikz b/fig/poster_2022-08-22/atomistic-ml/classification-of-atomistic-ml_poster_2022-08-22_ktikz.tikz
index 8ce0ccb525697d9d24624020a0cef859e5b0442a..fc077cda6260c599c9248b4a9f520d48bf737efb 100644
--- a/fig/poster_2022-08-22/atomistic-ml/classification-of-atomistic-ml_poster_2022-08-22_ktikz.tikz
+++ b/fig/poster_2022-08-22/atomistic-ml/classification-of-atomistic-ml_poster_2022-08-22_ktikz.tikz
@@ -211,4 +211,4 @@
% % for now, not inserted here put directly in document via textblock env.
% \node[text width=4cm] at (13,-2) {};
-\end{tikzpicture}}cture}
\ No newline at end of file
+\end{tikzpicture}
\ No newline at end of file