From dcb8aae854dd251f4c86c40fcc0830ae36d0e2c5 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Thu, 10 Sep 2020 13:53:39 +0200 Subject: [PATCH] minor corrections --- content/_index.md | 12 +++++++----- content/funding.html | 10 +++++----- 2 files changed, 12 insertions(+), 10 deletions(-) diff --git a/content/_index.md b/content/_index.md index 08c68e02..66e62cfb 100644 --- a/content/_index.md +++ b/content/_index.md @@ -4,16 +4,18 @@ date: 2019-08-29 09:00 draft: false --- -The purpose of the QUEST project is to provide reference (i.e. highly accurate) vertical excitation energies for small- and medium-sized molecules in order to compare the precision of computational quantum chemistry methods thanks to reliable and fair statistical analyses. +## The QUEST database of excitation energies +The purpose of the [QUEST](about) project is to provide reference (i.e. highly accurate) vertical excitation energies for small- and medium-sized molecules in order to compare the precision of computational quantum chemistry methods thanks to reliable and fair statistical analyses. One of the key aspect of the QUEST dataset is that it does not rely on any experimental values, avoiding potential biases inherently linked to experiments and facilitating in the process theoretical cross comparisons. -This website is an integral part of this project and makes it possible to dynamically compare the accuracy of a given method with respect to various variables such as the molecule size or its family, the nature of the excited states, the size of the basis set, and many others. -The corresponding literature references associated with the QUEST dataset can be found in the [publication section](publications) +This website is an integral part of this project and makes it possible to dynamically compare the accuracy of a given method with respect to various variables such as the molecule size or its family, the nature of the excited states, the size of the basis set, and many others. See the [DATASET section](dataset). -The statistics are represented as data table and graphs (using the [Plotly JavaScript Open Source Graphing Library](https://plotly.com/javascript)) +The corresponding literature references associated with the QUEST dataset can be found in the [PUBLICATIONS section](publications). + +The statistics are represented as data table and graphs (using the [Plotly JavaScript Open Source Graphing Library](https://plotly.com/javascript)). ## Example of charts -{{< figure src="/img/samplelot.png" title="Statistical results for QUEST#1 in the aug‑cc‑pVTZ basis for single excitations" >}} +{{< figure src="/img/samplelot.png" title="Statistical results for QUEST#1 for single excitations computed with the aug‑cc‑pVTZ basis" >}} diff --git a/content/funding.html b/content/funding.html index d3c2beb5..692aa2b5 100644 --- a/content/funding.html +++ b/content/funding.html @@ -8,16 +8,16 @@ This project has received funding from the Europ
PTEROSOR logo - ERC logo
+ ERC logo

-This work was performed using HPC ressources from GENCI-TGCC and from CALMIP (Toulouse). +Calculations related to this project were performed using HPC ressources from GENCI-TGCC and from CALMIP (Toulouse).
- GENCI logo
- CALMIP logo
+ GENCI logo + CALMIP logo

@@ -25,6 +25,6 @@ Funding from CNRS is also acknowledged.
- CNRS logo
+ CNRS logo