benchmarks: Add QS_reference for water different functionals (#5058)

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Ole Schütt 2026-04-13 18:04:53 +02:00 committed by GitHub
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@ -50,6 +50,8 @@ TIME_START=$(date +%s)
BENCHMARKS=(
"QS/H2O-64.inp"
"QS/H2O-64_nonortho.inp"
"QS_reference/w64PBE.inp"
"QS_reference/w64SCAN.inp"
"QS_single_node/H2O-hyb.inp"
"QS_single_node/GW_PBE_4benzene.inp"
"QS_single_node/RI-HFX_H2O-32.inp"