welcome: please sign in
location: Diff for "bdfbenchmark"
Differences between revisions 5 and 6
⇤ ← Revision 5 as of 2019-09-14 03:30:04 →
Size: 371
Editor: bsuo
Comment:
← Revision 6 as of 2019-09-14 03:30:21 → ⇥
Size: 373
Editor: bsuo
Comment:
Deletions are marked like this. Additions are marked like this.
Line 2: Line 2:

#format wiki #language en

BDF Benchmark. 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)