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Mickaël Véril 2020-06-14 14:30:20 +02:00
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@ -6,7 +6,7 @@ draft: false
The QUEST project aims to provide reference excitation energies in order to compare the precision of quantum chemistry methods by statistical calculations. This website is an integral part of this project and makes it possible to dynamically do statistical calculations to determine the best methods for a series of molecules. you can find references for the datasets in the [publication section](publications) The QUEST project aims to provide reference excitation energies in order to compare the precision of quantum chemistry methods by statistical calculations. This website is an integral part of this project and makes it possible to dynamically do statistical calculations to determine the best methods for a series of molecules. you can find references for the datasets in the [publication section](publications)
The statistics are showed as data table and as graph (using the [Plotly JavaScript Open Source Graphing Library](https://plotly.com/javascript)) The statistics are showing as data table and as a graph (using the [Plotly JavaScript Open Source Graphing Library](https://plotly.com/javascript))
## Example of charts ## Example of charts
{{< figure src="/img/samplelot.png" title="Statistical results for QUEST#1 set in the aug‑cc‑pVTZ basis for all single excitations" >}} {{< figure src="/img/samplelot.png" title="Statistical results for QUEST#1 set in the aug‑cc‑pVTZ basis for all single excitations" >}}