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https://github.com/LCPQ/QUESTDB_website.git
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Add rows for geometries
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parent
72b59434f1
commit
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@ -18,18 +18,24 @@ draft: false
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window.onload= async ()=>{
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window.onload= async ()=>{
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window.Cite = require('citation-js');
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window.Cite = require('citation-js');
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$('#form_dat input[type=radio]').on('change', async function(event) {
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$('#form_dat input[type=radio]').on('change', async function(event) {
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document.getElementById("Geom_th").hidden=true
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document.getElementById("GSGeom_th").hidden=true
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document.getElementById("ESGeom_th").hidden=true
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var result = $(this).val();
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var result = $(this).val();
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var proms=[];
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var proms=[];
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switch (result) {
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switch (result) {
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case "abs":
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case "abs":
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proms=getAbsFilesName().map((f) => AbsDataFile.loadAsync(f));
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proms=getAbsFilesName().map((f) => AbsDataFile.loadAsync(f));
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document.getElementById("Geom_th").hidden=false
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break;
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break;
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case "fluo":
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case "fluo":
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proms=getFluoFilesName().map((f) => FluoDataFile.loadAsync(f));
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proms=getFluoFilesName().map((f) => FluoDataFile.loadAsync(f));
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document.getElementById("Geom_th").hidden=false
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break;
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break;
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case "zpe":
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case "zpe":
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proms=getZPEFilesName().map((f) => ZPEDataFile.loadAsync(f));
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proms=getZPEFilesName().map((f) => ZPEDataFile.loadAsync(f));
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document.getElementById("GSGeom_th").hidden=false
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document.getElementById("ESGeom_th").hidden=false
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break;
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break;
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}
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}
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window.dats=await Promise.all(proms)
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window.dats=await Promise.all(proms)
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@ -189,13 +195,20 @@ draft: false
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for (const d of window.filt) {
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for (const d of window.filt) {
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var row=document.createElement("tr")
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var row=document.createElement("tr")
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var rowd=[]
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var rowd=[]
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var els=[d.molecule,d.comment,d.code,d.method,d.DOI]
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const els=[d.molecule,d.comment,d.code,d.method,d.DOI]
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var op=document.createElement("option")
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var op=document.createElement("option")
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var opObjVal=els.slice(2)
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var opObjVal=els.slice(2)
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op.value=JSON.stringify(opObjVal)
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op.value=JSON.stringify(opObjVal)
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op.innerText=opObjVal.join(" ")
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op.innerText=opObjVal.join(" ")
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sel_ref.appendChild(op)
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sel_ref.appendChild(op)
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for(const el of els){
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var tableels=els.slice()
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if(d instanceof oneStateDataFileBase){
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tableels.splice(3,0,d.geometry)
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}
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else if(d instanceof twoStateDataFileBase){
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tableels.splice(3,0,[d.GS,d.ES])
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}
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for(const el of tableels){
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td=document.createElement("td")
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td=document.createElement("td")
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if(trueTypeOf(el)=="doi"){
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if(trueTypeOf(el)=="doi"){
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var publipromise=window.Cite.async(el.string)
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var publipromise=window.Cite.async(el.string)
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@ -273,6 +286,9 @@ draft: false
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<th>Molecule</th>
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<th>Molecule</th>
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<th>Comment</th>
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<th>Comment</th>
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<th>Code</th>
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<th>Code</th>
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<th id="Geom_th" hidden=true>Geometry</th>
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<th id="GSGeom_th" hidden=true>Ground state geometry</th>
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<th id="ESGeom_th" hidden=true>Excited state geometry</th>
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<th>Method</th>
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<th>Method</th>
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<th>Paper</th>
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<th>Paper</th>
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<th>File</th>
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<th>File</th>
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