diff --git a/content/dataset.html b/content/dataset.html index d047c2cc..312d3587 100644 --- a/content/dataset.html +++ b/content/dataset.html @@ -113,11 +113,7 @@ draft: false for (mol of uniq(subset.map(d => d.molecule))) { const submol = subset.filter(d => d.molecule === mol) const source = submol.find((d) => { - if (db.sets.get(d.set.name)[d.set.index] === "10.1021/acs.jctc.8b01205") { - return d.method.name === "CASPT2" && d.method.basis === "aug-cc-pVDZ" - } else { - return d.method.isTBE - } + return d.method.isTBE && d.method.basis === "aug-cc-pVTZ" }) if (source !== undefined) { for (const dat of submol.filter((d) => d !== source)) {