Match B3LYP Fock Eigenvalue up
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Run GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] >
Input 03-xc.b3lyp_fock.inp
Value | Reference | Precision | Status |
-1.019204000000000e+00 | -1.019171000000000e+00 | 3.630000000000000e-05 | PASS |
Command: GREPFIELD(static/info, ' 1 up', 3)