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Mickaël Véril 2020-10-29 17:34:11 +01:00
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Manuscript/QUEST_WIREs.tex
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@ -698,7 +698,7 @@ The project containing two parts
All the calculation are made locally on the dataset page. All the calculation are made locally on the dataset page.
Firstly the website proposes to the user to import new data \ref{sec:tools}. Firstly the website proposes to the user to import new data \ref{sec:tools}.
these data are added to the current session (and removed after lost the page). these data are added to the current session (and removed after lost the page).
There are for multi selection dropdown list. Each dropdown depend to the previous. There are for multi selection dropdown list. each list depends on the previous ones
These lists allow to select information about the selected sets \ref{fig:scheme}. These lists allow to select information about the selected sets \ref{fig:scheme}.
Molecules \ref{fig:molecules} methods and basis \ref{sec:methods}. Molecules \ref{fig:molecules} methods and basis \ref{sec:methods}.
After there are many filters to choose the properties of included excitations. After there are many filters to choose the properties of included excitations.
@ -708,9 +708,9 @@ We also provide a flag to take off all the value declared not safe. We declared
uncertainty. uncertainty.
\paragraph{Statistics calculations} \paragraph{Statistics calculations}
We want to calculate the accuracy of each couple method/basis compared to the reference (usually TBEs). We want to calculate the accuracy of each couple method/basis compared to the reference (usually TBEs).
for each method we define a vector containing all the energies of the user selected vertical transitions. For each method we define a vector containing all the energies of the user selected vertical transitions.
With $\meth$ a couple method/basis and $E^x_\meth$ the energy of the vertical excitation $\nEx$ for the method $\meth$. With $\meth$ a couple method/basis and $E^x_\meth$ the energy of the vertical excitation $\nEx$ for the method $\meth$
And $\err_\meth$ the error vector of the method $\meth$ compared to the reference $\text{ref}$ and $\err_\meth$ the error vector of the method $\meth$ compared to the reference $\text{ref}$
\begin{equation} \begin{equation}
\vec{E_\meth} = \qty{E^1_\meth, \ldots , E^\nEx_\meth} \vec{E_\meth} = \qty{E^1_\meth, \ldots , E^\nEx_\meth}
\end{equation} \end{equation}
@ -740,9 +740,9 @@ So the options, the {\LaTeX} \texttt{\textbackslash newcommand} to apply and the
Each module is responsible to parse the \texttt{tabular} and return all the corresponding dataFiles as object. Each module is responsible to parse the \texttt{tabular} and return all the corresponding dataFiles as object.
After, the main script output these objects to the corresponding files. Theses files can be used in the website After, the main script output these objects to the corresponding files. Theses files can be used in the website
By importing it temporarily or to make a pull request for the new data. By importing it temporarily or to make a pull request for the new data.
The modular aspect of this tool gives us enough flexibility to easily convert many types of {\LaTeX} \texttt{tabular} to a uniformed file format. The modular aspect of this tool gives us enough flexibility to easily convert many types of {\LaTeX} \texttt{tabular} to a standardized file format.
\paragraph*{ADC25generator} \paragraph*{ADC25generator}
The \texttt{ADC25generator} tool merge ADC(2) and ADC(3) metadata and calculate the ADC(2.5) energy from ADC(2) ADC(3) as The \texttt{ADC25generator} tool merge ADC(2) and ADC(3) metadata and calculate the ADC(2.5) energy from ADC(2) and ADC(3) datafile as
\begin{equation} \begin{equation}
E_\text{ADC(2.5)} = \frac{E_\text{ADC(2)}+E_\text{ADC(3)}}{2} E_\text{ADC(2.5)} = \frac{E_\text{ADC(2)}+E_\text{ADC(3)}}{2}
\end{equation} \end{equation}