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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

bdfbenchmark (last edited 2024-04-29 08:00:00 by bsuo)