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New reference for excitation type is now only TBE_aug-cc-pVTZ
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@ -113,11 +113,7 @@ draft: false
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for (mol of uniq(subset.map(d => d.molecule))) {
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const submol = subset.filter(d => d.molecule === mol)
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const source = submol.find((d) => {
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if (db.sets.get(d.set.name)[d.set.index] === "10.1021/acs.jctc.8b01205") {
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return d.method.name === "CASPT2" && d.method.basis === "aug-cc-pVDZ"
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} else {
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return d.method.isTBE
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}
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return d.method.isTBE && d.method.basis === "aug-cc-pVTZ"
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})
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if (source !== undefined) {
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for (const dat of submol.filter((d) => d !== source)) {
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