Match B3LYP Fock Eigenvalue up
Commits >
Commit 3f3300a09a325083399ad405019c399609c6d1c2 >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 03-xc.b3lyp_fock.inp
| Value | Reference | Precision | Status |
| -9.746810000000000e-01 | -1.019171000000000e+00 | 3.630000000000000e-05 | FAIL |
Command: GREPFIELD(static/info, ' 1 up', 3)