rename figs

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Pierre-Francois Loos 2022-04-11 22:41:40 +02:00
parent 325f3ab06b
commit f8ecee62be
4 changed files with 3 additions and 3 deletions

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@ -156,7 +156,7 @@ We underline that, although a third-order version of NEVPT has been developed \c
%%% FIGURE 1 %%%
\begin{figure}
\includegraphics[width=\linewidth]{mol.pdf}
\includegraphics[width=\linewidth]{fig1}
\caption{Various molecular systems considered in this study.
\label{fig:mol}}
\end{figure}
@ -508,7 +508,7 @@ TBEs listed as ``safe'' are assumed to be chemically accurate (\ie, absolute err
%%% FIGURE 2 %%%
\begin{figure}
\includegraphics[width=\linewidth]{PT2_vs_PT3.pdf}
\includegraphics[width=\linewidth]{fig2.pdf}
\caption{Histograms of the errors (in \si{\eV}) obtained for CASPT2 and CASPT3 with and without IPEA shift.
Raw data are given in Table \ref{tab:BigTab}.}
\label{fig:PT2_vs_PT3}
@ -618,7 +618,7 @@ This feature is crucial in the description of some photochemistry mechanisms. \c
%%% FIGURE 3 %%%
\begin{figure}
\includegraphics[width=\linewidth]{timings}
\includegraphics[width=\linewidth]{fig3}
\caption{Ratio of the wall times associated with the computation of the third- and second-order energies as a function of the total number of contracted and uncontracted external configurations for benzene (see Table \ref{tab:timings} for raw data).
Calculations have been performed in the frozen-core approximation and with the aug-cc-pVTZ basis set on an Intel Xeon node (see main text).}
\label{fig:timings}