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Mickaël Véril 2019-08-21 20:04:29 +02:00
commit e7cf4d5001
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102
datas/water_aug-cc-pVDZ_CC3.json Normal file
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{
"molecule": "water",
"remark": "",
"code": {
"name": "",
"version": ""
},
"basis": {
"type": "gaussian",
"name": "aug-cc-pVDZ",
"size": 3
},
"parameters": { },
"method": "CC3",
"exitations": [
{
"type": "",
"start": {
"num": 1,
"multiplicity": 1,
"symetry": "A_1"
},
"end": {
"num": 1,
"multiplicity": 1,
"symetry": "B_1"
},
"energy": 7.51
},
{
"type": "",
"start": {
"num": 1,
"multiplicity": 1,
"symetry": "A_1"
},
"end": {
"num": 1,
"multiplicity": 1,
"symetry": "A_2"
},
"energy": 9.29
},
{
"type": "",
"start": {
"num": 1,
"multiplicity": 1,
"symetry": "A_1"
},
"end": {
"num": 2,
"multiplicity": 1,
"symetry": "A_1"
},
"energy": 9.92
},
{
"type": "",
"start": {
"num": 1,
"multiplicity": 1,
"symetry": "A_1"
},
"end": {
"num": 1,
"multiplicity": 3,
"symetry": "B_1"
},
"energy": 7.13
},
{
"type": "",
"start": {
"num": 1,
"multiplicity": 1,
"symetry": "A_1"
},
"end": {
"num": 1,
"multiplicity": 3,
"symetry": "A_2"
},
"energy": 9.12
},
{
"type": "",
"start": {
"num": 1,
"multiplicity": 1,
"symetry": "A_1"
},
"end": {
"num": 1,
"multiplicity": 3,
"symetry": "A_1"
},
"energy": 9.47
}
],
"doi": "10.1021/acs.jctc.8b00406"
}

33
index.html Normal file
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<!DOCTYPE html>
<html>
<head>
<script src="scripts/getdoiurl.js" type="text/javascript"></script>
<script>
function update_file() {
inp=document.getElementById('filename_inp');
doilink=document.getElementById('doilink');
doilink.setAttribute('href',getdoiurlfromfile(inp.value+'.json'));
filelink=document.getElementById('filelink');
filelink.setAttribute('href','datas/'+inp.value+'.json');
}
</script>
<script>
window.onload=function() {
var inp = document.getElementById("filename_inp");
inp.addEventListener("keydown", function (e) {
if (e.keyCode === 13) { //checks whether the pressed key is "Enter"
update_file(inp.value);
}
}
);
}
</script>
</head>
<body>
<label>Write a data file name without extension
<input type="text" id='filename_inp'></input>
</label>
<a target="_blank" id='doilink'>Go to paper</a>
<a target="_blank" id='filelink'>Go to file</a>
</body>
</html>

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scripts/getdoiurl.js Normal file
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function getjsonfromfile(path) {
var result = null;
var xmlhttp = new XMLHttpRequest();
xmlhttp
xmlhttp.open("GET", path, false);
xmlhttp.send();
if (xmlhttp.status==200) {
text = xmlhttp.responseText;
}
return JSON.parse(text);
}
function getdoiurl(datas) {
return 'https://doi.org/'+datas.doi
}
function getdoiurlfromfile(file) {
return getdoiurl(getjsonfromfile('datas/'+file))
}