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Revision 8 as of 2019-09-14 03:31:56

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location: bdfbenchmark

= 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