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| BDF Benchmark. These data are used to evalulate BDF and also benchmark CPU and compilers. | = BDF Benchmark= <<TableOfContents(4)>> |
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| = SCF energy and gradient calculated with ERI and Schwarz prescreeening = | These data are used to assess BDF and also benchmark CPU and compilers. |
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| == Molecule : DNA-1, cc-pvDZ basis sets from EMSL, optimized for general contraction == | == SCF energy and gradient : ERI and Schwarz prescreeening == 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