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<meta name="viewport" content="width=device-width, initial-scale=1.0, maximum-scale=1.0">
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<title>Frequently Asked Questions - QUEST: a database of highly-accurate excitation energies</title>
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<meta name="description" content="How to export geometry data? You need to use the Export geometries button below the geometry select box. This button allows to export geometries as a ZIP file containing all the selected molecular geometries in xyz format.
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How to export values? Above each table there is an Export table button which allows to export the data of the chosen table as CSV file.">
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<meta name="description" content="How to export molecular geometries? You need to use the Export geometries button below the geometry select box in the DATASET section. This button allows to export geometries as a ZIP file containing all the selected molecular geometries in xyz format.
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How to export values of excitation energies? In the DATASET section, above each table there is an Export table button which allows to export the data of the chosen table as CSV file.">
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<meta name="author" content="M. Véril"/><script type="application/ld+json">
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{
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"@context": "http://schema.org",
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@ -58,9 +58,9 @@ How to export values? Above each table there is an Export table button which all
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"name" : "M. Véril"
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},
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"headline": "Frequently Asked Questions",
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"description" : "How to export geometry data? You need to use the Export geometries button below the geometry select box. This button allows to export geometries as a ZIP file containing all the selected molecular geometries in xyz format.\nHow to export values? Above each table there is an Export table button which allows to export the data of the chosen table as CSV file.",
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"description" : "How to export molecular geometries? You need to use the Export geometries button below the geometry select box in the DATASET section. This button allows to export geometries as a ZIP file containing all the selected molecular geometries in xyz format.\n How to export values of excitation energies? In the DATASET section, above each table there is an Export table button which allows to export the data of the chosen table as CSV file.",
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"inLanguage" : "en",
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"wordCount": 63 ,
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"wordCount": 74 ,
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"datePublished" : "0001-01-01T00:00:00",
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"dateModified" : "0001-01-01T00:00:00",
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"image" : "https:\/\/lcpq.github.io\/QUESTDB_website\/img\/TOC_JPCL.png",
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@ -80,15 +80,15 @@ How to export values? Above each table there is an Export table button which all
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</script>
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<meta property="og:title" content="Frequently Asked Questions" />
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<meta property="og:description" content="How to export geometry data? You need to use the Export geometries button below the geometry select box. This button allows to export geometries as a ZIP file containing all the selected molecular geometries in xyz format.
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How to export values? Above each table there is an Export table button which allows to export the data of the chosen table as CSV file.">
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<meta property="og:description" content="How to export molecular geometries? You need to use the Export geometries button below the geometry select box in the DATASET section. This button allows to export geometries as a ZIP file containing all the selected molecular geometries in xyz format.
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How to export values of excitation energies? In the DATASET section, above each table there is an Export table button which allows to export the data of the chosen table as CSV file.">
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<meta property="og:image" content="https://lcpq.github.io/QUESTDB_website/img/TOC_JPCL.png" />
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<meta property="og:url" content="https://lcpq.github.io/QUESTDB_website/faq/" />
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<meta property="og:type" content="website" />
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<meta property="og:site_name" content="QUEST: a database of highly-accurate excitation energies" />
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<meta name="twitter:title" content="Frequently Asked Questions" />
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<meta name="twitter:description" content="How to export geometry data? You need to use the Export geometries button below the geometry select box. This button allows to export geometries as a ZIP file containing all the selected molecular …">
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<meta name="twitter:description" content="How to export molecular geometries? You need to use the Export geometries button below the geometry select box in the DATASET section. This button allows to export geometries as a ZIP file containing …">
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<meta name="twitter:image" content="https://lcpq.github.io/QUESTDB_website/img/TOC_JPCL.png" />
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<meta name="twitter:card" content="summary" />
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<meta name="twitter:site" content="@LCPQ_UMR5626" />
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@ -283,11 +283,13 @@ MathJax.Hub.Config({
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<div class="row">
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<div class="col-lg-8 col-lg-offset-2 col-md-10 col-md-offset-1">
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<article role="main" class="blog-post">
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<h1 id="how-to-export-geometry-data">How to export geometry data?</h1>
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<p>You need to use the <code>Export geometries</code> button below the geometry select box.
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<h1 id="how-to-export-molecular-geometries">How to export molecular geometries?</h1>
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<p>You need to use the <code>Export geometries</code> button below the geometry select box in the <a href="dataset">DATASET section</a>.
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This button allows to export geometries as a <a href="https://en.wikipedia.org/wiki/ZIP_%28file_format%29" rel="noopener" target="_blank">ZIP</a> file containing all the selected molecular geometries in <a href="https://wikipedia.org/wiki/XYZ_file_format" rel="noopener" target="_blank">xyz</a> format.</p>
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<h1 id="how-to-export-values">How to export values?</h1>
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<p>Above each table there is an <code>Export table</code> button which allows to export the data of the chosen table as <a href="https://wikipedia.org/wiki/Comma-separated_values" rel="noopener" target="_blank">CSV</a> file.</p>
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<hr>
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<h1 id="how-to-export-values-of-excitation-energies">How to export values of excitation energies?</h1>
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<p>In the <a href="dataset">DATASET section</a>, above each table there is an <code>Export table</code> button which allows to export the data of the chosen table as <a href="https://wikipedia.org/wiki/Comma-separated_values" rel="noopener" target="_blank">CSV</a> file.</p>
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<hr>
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<pubDate>Mon, 01 Jan 0001 00:00:00 +0000</pubDate>
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<author>mveril@irsamc.ups-tlse.fr (M. Véril)</author>
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<guid>https://lcpq.github.io/QUESTDB_website/faq/</guid>
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<description>How to export geometry data? You need to use the Export geometries button below the geometry select box. This button allows to export geometries as a ZIP file containing all the selected molecular geometries in xyz format.
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How to export values? Above each table there is an Export table button which allows to export the data of the chosen table as CSV file.</description>
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<description>How to export molecular geometries? You need to use the Export geometries button below the geometry select box in the DATASET section. This button allows to export geometries as a ZIP file containing all the selected molecular geometries in xyz format.
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How to export values of excitation energies? In the DATASET section, above each table there is an Export table button which allows to export the data of the chosen table as CSV file.</description>
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</item>
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<item>
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