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Merge branch 'master' into QUEST5

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Mickaël Véril 2020-08-07 17:52:01 +02:00
commit 5bad7fd0ed
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static/js/data.js
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@ -347,7 +347,7 @@ class dataFileBase {
} }
}); });
console.assert(double.length === 0, "Double found", double, dat.molecule, dat.method.toString()) console.assert(double.length === 0, "Double found", double, dat.molecule, dat.method.toString())
if (dat.DOI.string !== "10.1021/acs.jctc.8b01205") { if (dat.DOI!== null && dat.DOI.string !== "10.1021/acs.jctc.8b01205") {
for (const ex of dat.excitations) { for (const ex of dat.excitations) {
console.assert(Number.isNaN(ex.T1.valueOf()) | ex.T1 > 50 | ex.isUnsafe == true, "Must be unsafe", dat, ex) console.assert(Number.isNaN(ex.T1.valueOf()) | ex.T1 > 50 | ex.isUnsafe == true, "Must be unsafe", dat, ex)
} }