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BDF Benchmark. These data are used to evalulate BDF and also benchmark CPU and compilers. ##master-page:HelpTemplate
##master-date:Unknown-Date
#format wiki
#language en

= BDF Benchmark=
<<TableOfContents(4)>>

These data are used to evalulate BDF and also benchmark CPU and compilers.
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== Molecule : DNA-1, cc-pvDZ basis sets from EMSL, optimized for general contraction ==

#format wiki #language en

= BDF Benchmark=

Contents

  1. SCF energy and gradient calculated with ERI and Schwarz prescreeening
    1. Molecule : DNA-1, cc-pvDZ basis sets from EMSL, optimized for general contraction

These data are used to evalulate BDF and also benchmark CPU and compilers.

SCF energy and gradient calculated with 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)