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| Deletions are marked like this. | Additions are marked like this. |
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| These data are used to evalulate BDF and also benchmark CPU and compilers. | These data are used to assess BDF and also benchmark CPU and compilers. |
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| == SCF energy and gradient calculated with ERI and Schwarz prescreeening == | == SCF energy and gradient : ERI and Schwarz prescreeening == |
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| === Molecule : DNA-1, cc-pvDZ basis sets from EMSL, optimized for general contraction === | Molecule : DNA-1, cc-pvDZ basis sets from EMSL, optimized for general contraction |
= BDF Benchmark=
These data are used to assess BDF and also benchmark CPU and compilers.
SCF energy and gradient : ERI and Schwarz prescreeening
Molecule : DNA-1, cc-pvDZ basis sets from EMSL, optimized for general contraction