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Remove T1>50 assetion for QUEST#2

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This commit is contained in:
Mickaël Véril 2020-03-30 15:41:25 +02:00
parent cb70bcdc6b
commit 6d117915f5
1 changed files with 4 additions and 2 deletions
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6
static/js/data.js
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@ -339,8 +339,10 @@ class dataFileBase {
}
});
console.assert(double.length===0,"Double found",double,dat.molecule,dat.method.toString())
for (const ex of dat.excitations) {
console.assert(Number.isNaN(ex.T1.valueOf()) | ex.T1>50 | ex.isUnsafe==true,"Must be unsafe",dat,ex)
if (dat.DOI.string!=="10.1021/acs.jctc.8b01205") {
for (const ex of dat.excitations) {
console.assert(Number.isNaN(ex.T1.valueOf()) | ex.T1>50 | ex.isUnsafe==true,"Must be unsafe",dat,ex)
}
}
return dat
}