Match B3LYP Fock Eigenvalue dn
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] >
Input 03-xc.b3lyp_fock.inp
Value | Reference | Precision | Status |
-8.378890000000000e-01 | -8.379245000000000e-01 | 3.910000000000000e-05 | PASS |
Command: GREPFIELD(static/info, ' 1 dn', 3)