Diff for "bdfbenchmark"

Differences between revisions 7 and 9 (spanning 2 versions)

= BDF Benchmark=

Contents

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

-  ⇤ ← Revision 7 as of 2019-09-14 03:31:14 → 
  Size: 402
  Editor: bsuo
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+   ← Revision 9 as of 2019-09-14 03:33:09 → ⇥
  Size: 380
  Editor: bsuo
  Comment:
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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