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You are correct. The results should be the same. The difference is that qc is more memory friendly for conventional 4-index integrals. |
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Hej!
I am puzzled a bit on what is the difference between LDSRG2_QC and LDSRG2? Is LDSRG2_QC equal to LDSRG2 when DSRG_RSC_NCOMM=2?
Sorry for bothering and thank you in advance!
With best regards,
Victor
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