|
Size: 371
Comment:
|
Size: 404
Comment:
|
| Deletions are marked like this. | Additions are marked like this. |
| Line 7: | Line 7: |
| BDF Benchmark. These data are used to evalulate BDF and also benchmark CPU and compilers. | = BDF Benchmark= <<TableOfContents(4)>> |
| Line 9: | Line 10: |
| = SCF energy and gradient calculated with ERI and Schwarz prescreeening = | These data are used to evalulate BDF and also benchmark CPU and compilers. |
| Line 11: | Line 12: |
| == Molecule : DNA-1, cc-pvDZ basis sets from EMSL, optimized for general contraction == | == SCF energy and gradient calculated with ERI and Schwarz prescreeening == === Molecule : DNA-1, cc-pvDZ basis sets from EMSL, optimized for general contraction === |
= BDF Benchmark=
Contents
These data are used to evalulate BDF and also benchmark CPU and compilers.
SCF energy and gradient calculated with ERI and Schwarz prescreeening