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 index 4eb97e50074324c4c1d2f21121b1ab15f9a00c1d..9432e35a13fa1e957bf987858a713d8ad7f0cb98 100644 --- 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 @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:c3e3bb11c0298e12a7673b15c15a81ef9d9396977217d727bd25740904060043 -size 114150 +oid sha256:674198cae5f362246f0ee361bf252dc1f445a9fe9fb54744323fc1fa40586d6d +size 114309 diff --git a/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.png b/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.png index c140ba00de8279ad4d06f4304444a9f2304bde2e..8ff454f44879507e1f1e8f962d28c0c6efeffec2 100644 --- a/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.png +++ b/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.png @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:f5dc2fe16f2fe3f1cda1e5e200477920a295c8234e155487e42b95bcc2e551f0 -size 80263 +oid sha256:f0e1afa80cb9441c619ba44a4ca90dedb773229db3f88df68cc6b552d7b12490 +size 81913 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 index 9e2674a9e9d8b4449e1a9301e6b2f97869d5529d..a68e61913f7602adb53954c2853a479ed910045c 100644 --- 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 @@ -170,7 +170,7 @@ % \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}}\\\logoJuDFT Codes}; - \draw node[/box/active,v] (primary) [right=.7 of dft] {Primary Output\\ \(V(\vec{r})\), \(n(\vec{r})\)}; + \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, \(\dots\)}; @@ -197,7 +197,7 @@ \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 node[/box/ml,v] (surrogate-1) [below=.7 of primary] {\textbf{Primary Emulator}\\{\scriptsize{\textit{Charge density, potential}}} \logoNeuralNetworkSolidCircledHelmholtzdarkblueBgWhite}; \draw[/arr/ml] (atoms) -- (representation); \begin{scope}[transform canvas={yshift=7}] % shift arrow st surrogate input arrows not overlaid